1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol

C21H30N2O — CID 86882554

IUPAC1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
SMILESCC(C)C(NCC(O)CN(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H30N2O/c1-17(2)21(19-12-8-5-9-13-19)22-14-20(24)16-23(3)15-18-10-6-4-7-11-18/h4-13,17,20-22,24H,14-16H2,1-3H3
InChIKeyFSZYAHFQSINLQJ-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.47
Rot. Bonds9

About 1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol

1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol (PubChem CID 86882554) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
PubChem CID86882554
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
SMILESCC(C)C(NCC(O)CN(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H30N2O/c1-17(2)21(19-12-8-5-9-13-19)22-14-20(24)16-23(3)15-18-10-6-4-7-11-18/h4-13,17,20-22,24H,14-16H2,1-3H3
InChIKeyFSZYAHFQSINLQJ-UHFFFAOYSA-N
XLogP3.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol
CID 103910841
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
CID 130887110
methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594
1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 110929932
1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine
CID 130563719
2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine
CID 130563657

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol (CID 86882554) is 1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol is CC(C)C(NCC(O)CN(C)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol?
The InChIKey is FSZYAHFQSINLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-17(2)21(19-12-8-5-9-13-19)22-14-20(24)16-23(3)15-18-10-6-4-7-11-18/h4-13,17,20-22,24H,14-16H2,1-3H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol?
1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol has a molecular weight of 326.48 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol is sourced from PubChem (CID 86882554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).