3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol

C22H31NO — CID 59570704

IUPAC3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(O)CCN(Cc2ccccc2)C(C)C)c(C)c1
InChIInChI=1S/C22H31NO/c1-16(2)23(15-20-9-7-6-8-10-20)12-11-21(24)22-18(4)13-17(3)14-19(22)5/h6-10,13-14,16,21,24H,11-12,15H2,1-5H3
InChIKeyVSIMBNDIKCRGJH-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.95
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol

3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol (PubChem CID 59570704) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol
PubChem CID59570704
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(O)CCN(Cc2ccccc2)C(C)C)c(C)c1
InChIInChI=1S/C22H31NO/c1-16(2)23(15-20-9-7-6-8-10-20)12-11-21(24)22-18(4)13-17(3)14-19(22)5/h6-10,13-14,16,21,24H,11-12,15H2,1-5H3
InChIKeyVSIMBNDIKCRGJH-UHFFFAOYSA-N
XLogP4.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol
CID 59570767
3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 59570710
(2R,3R)-2-(dibenzylamino)-3-hydroxy-3-(2,4,6-trimethylphenyl)propanenitrile
CID 11783949
N-benzyl-2,4,6-trimethyl-N-(1-phenylethyl)aniline
CID 142157502
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol
CID 46007541
N-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine
CID 143793924
3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 62613763
(2S)-1-[(3-methylphenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol
CID 93162276

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol (CID 59570704) is 3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol is Cc1cc(C)c(C(O)CCN(Cc2ccccc2)C(C)C)c(C)c1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol?
The InChIKey is VSIMBNDIKCRGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-16(2)23(15-20-9-7-6-8-10-20)12-11-21(24)22-18(4)13-17(3)14-19(22)5/h6-10,13-14,16,21,24H,11-12,15H2,1-5H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol?
3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol has a molecular weight of 325.50 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-(2,4,6-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 59570704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).