3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol

C34H48N2O — CID 142297314

IUPAC3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol
SMILESCCCc1cc(NCCc2ccc(C(C)(CC)C(C)O)cc2)ccc1NCC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C34H48N2O/c1-8-10-28-23-31(19-20-32(28)36-24-33(5,6)29-15-11-25(3)12-16-29)35-22-21-27-13-17-30(18-14-27)34(7,9-2)26(4)37/h11-20,23,26,35-37H,8-10,21-22,24H2,1-7H3
InChIKeyDZWAKIBOKVYHKV-UHFFFAOYSA-N
MW500.77 g/mol
LogP8.04
Rot. Bonds13

About 3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol

3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol (PubChem CID 142297314) has the molecular formula C34H48N2O and a molecular weight of 500.77 g/mol. Its IUPAC name is 3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol.

Molecular Properties

Compound Name3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol
PubChem CID142297314
Molecular FormulaC34H48N2O
Molecular Weight500.77 g/mol
Exact Mass500.38
IUPAC Name3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol
SMILESCCCc1cc(NCCc2ccc(C(C)(CC)C(C)O)cc2)ccc1NCC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C34H48N2O/c1-8-10-28-23-31(19-20-32(28)36-24-33(5,6)29-15-11-25(3)12-16-29)35-22-21-27-13-17-30(18-14-27)34(7,9-2)26(4)37/h11-20,23,26,35-37H,8-10,21-22,24H2,1-7H3
InChIKeyDZWAKIBOKVYHKV-UHFFFAOYSA-N
XLogP8.04
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.77
LogP ≤ 58.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol with MolForge

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Related Compounds

1-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-propylbenzene-1,4-diamine
CID 142297378
4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one
CID 144767974
N-[2-methyl-2-(4-propylphenyl)propyl]carbamoyl bromide
CID 115194217
N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115716554
N-methyl-1-(3-methyl-4-propylphenyl)propan-2-amine;2-methylpropan-2-ol
CID 143622351
N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
CID 115227465
N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline
CID 139263974
3-ethyl-4-methyl-N-(2-phenylethyl)aniline
CID 114250176
N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine
CID 115195580
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
N-(2,3-dimethylpent-1-en-3-yl)-4-methylaniline;ethane;1-methyl-4-(4-propylphenyl)benzene
CID 143188287

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol?
The IUPAC name of 3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol (CID 142297314) is 3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol.
What is the SMILES notation for 3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol?
The canonical SMILES for 3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol is CCCc1cc(NCCc2ccc(C(C)(CC)C(C)O)cc2)ccc1NCC(C)(C)c1ccc(C)cc1.
What is the InChIKey of 3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol?
The InChIKey is DZWAKIBOKVYHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N2O/c1-8-10-28-23-31(19-20-32(28)36-24-33(5,6)29-15-11-25(3)12-16-29)35-22-21-27-13-17-30(18-14-27)34(7,9-2)26(4)37/h11-20,23,26,35-37H,8-10,21-22,24H2,1-7H3.
What are the key properties of 3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol?
3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol has a molecular weight of 500.77 g/mol, XLogP of 8.04, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[4-[2-[4-[[2-methyl-2-(4-methylphenyl)propyl]amino]-3-propylanilino]ethyl]phenyl]pentan-2-ol is sourced from PubChem (CID 142297314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).