3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol

C25H31NO — CID 59570754

IUPAC3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol
SMILESCc1ccc(C(O)CCN(Cc2ccccc2)CC(C)C)c2ccccc12
InChIInChI=1S/C25H31NO/c1-19(2)17-26(18-21-9-5-4-6-10-21)16-15-25(27)24-14-13-20(3)22-11-7-8-12-23(22)24/h4-14,19,25,27H,15-18H2,1-3H3
InChIKeyOMONBGZUFPKWNA-UHFFFAOYSA-N
MW361.53 g/mol
LogP5.73
Rot. Bonds8

About 3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol

3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol (PubChem CID 59570754) has the molecular formula C25H31NO and a molecular weight of 361.53 g/mol. Its IUPAC name is 3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol
PubChem CID59570754
Molecular FormulaC25H31NO
Molecular Weight361.53 g/mol
Exact Mass361.24
IUPAC Name3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol
SMILESCc1ccc(C(O)CCN(Cc2ccccc2)CC(C)C)c2ccccc12
InChIInChI=1S/C25H31NO/c1-19(2)17-26(18-21-9-5-4-6-10-21)16-15-25(27)24-14-13-20(3)22-11-7-8-12-23(22)24/h4-14,19,25,27H,15-18H2,1-3H3
InChIKeyOMONBGZUFPKWNA-UHFFFAOYSA-N
XLogP5.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol
CID 57071428
3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624194
1-(4-methylnaphthalen-1-yl)heptan-1-ol
CID 114753428
3-[benzyl(propan-2-yl)amino]-1-naphthalen-1-ylpropan-1-ol
CID 59570767
1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol
CID 79597706
N-benzyl-N-butyl-3-methylbutan-1-amine
CID 21355603
(2S)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 93163145
1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713638
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171269476
N,N-dibenzyl-3-fluorobutan-1-amine
CID 146026294
1-(2-bromophenyl)-3-[2-methoxyethyl(2-methylpropyl)amino]propan-1-ol
CID 62625619
3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62625075

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol?
The IUPAC name of 3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol (CID 59570754) is 3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol.
What is the SMILES notation for 3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol?
The canonical SMILES for 3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol is Cc1ccc(C(O)CCN(Cc2ccccc2)CC(C)C)c2ccccc12.
What is the InChIKey of 3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol?
The InChIKey is OMONBGZUFPKWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO/c1-19(2)17-26(18-21-9-5-4-6-10-21)16-15-25(27)24-14-13-20(3)22-11-7-8-12-23(22)24/h4-14,19,25,27H,15-18H2,1-3H3.
What are the key properties of 3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol?
3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol has a molecular weight of 361.53 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol is sourced from PubChem (CID 59570754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).