(3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol

C14H23NO — CID 129383331

IUPAC(3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
SMILESCC(C)[C@@H](O)CCN(C)Cc1ccccc1
InChIInChI=1S/C14H23NO/c1-12(2)14(16)9-10-15(3)11-13-7-5-4-6-8-13/h4-8,12,14,16H,9-11H2,1-3H3/t14-/m0/s1
InChIKeyUFLYSJZFHGLEQL-AWEZNQCLSA-N
MW221.34 g/mol
LogP2.53
Rot. Bonds6

About (3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol

(3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol (PubChem CID 129383331) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol.

Molecular Properties

Compound Name(3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
PubChem CID129383331
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
SMILESCC(C)[C@@H](O)CCN(C)Cc1ccccc1
InChIInChI=1S/C14H23NO/c1-12(2)14(16)9-10-15(3)11-13-7-5-4-6-8-13/h4-8,12,14,16H,9-11H2,1-3H3/t14-/m0/s1
InChIKeyUFLYSJZFHGLEQL-AWEZNQCLSA-N
XLogP2.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383329
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075
(3R)-N-benzyl-N-methyl-3-phenylbutan-1-amine;hydrate
CID 66524871
2-[2-[benzyl(methyl)amino]ethyl]-3,3-dimethylbutanoic acid
CID 90411500
4-[4-[benzyl(methyl)amino]butan-2-yl]aniline
CID 104501397
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 42867669
(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
(2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol
CID 58837038
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 143394771
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol?
The IUPAC name of (3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol (CID 129383331) is (3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol.
What is the SMILES notation for (3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol?
The canonical SMILES for (3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol is CC(C)[C@@H](O)CCN(C)Cc1ccccc1.
What is the InChIKey of (3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol?
The InChIKey is UFLYSJZFHGLEQL-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23NO/c1-12(2)14(16)9-10-15(3)11-13-7-5-4-6-8-13/h4-8,12,14,16H,9-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol?
(3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol has a molecular weight of 221.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol is sourced from PubChem (CID 129383331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).