(2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol

C14H23NO — CID 103922515

IUPAC(2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol
SMILESCC[C@H](CO)NC(c1ccccc1)C(C)C
InChIInChI=1S/C14H23NO/c1-4-13(10-16)15-14(11(2)3)12-8-6-5-7-9-12/h5-9,11,13-16H,4,10H2,1-3H3/t13-,14?/m1/s1
InChIKeyWOFBOSWCJBVUCE-KWCCSABGSA-N
MW221.34 g/mol
LogP2.74
Rot. Bonds6

About (2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol

(2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol (PubChem CID 103922515) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol
PubChem CID103922515
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol
SMILESCC[C@H](CO)NC(c1ccccc1)C(C)C
InChIInChI=1S/C14H23NO/c1-4-13(10-16)15-14(11(2)3)12-8-6-5-7-9-12/h5-9,11,13-16H,4,10H2,1-3H3/t13-,14?/m1/s1
InChIKeyWOFBOSWCJBVUCE-KWCCSABGSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol
CID 103922693
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
2-[(2-methyl-1-phenylpropyl)amino]butanoic acid
CID 113292394
2-[(3,3,3-trifluoro-1-phenylpropyl)amino]butan-1-ol
CID 43771162
2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one
CID 82100066
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671
2-(3-phenylbutan-2-ylamino)propane-1,3-diol
CID 115724145
(2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butan-1-ol
CID 28724284
N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
CID 22831493
3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butan-2-amine
CID 113457713

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol?
The IUPAC name of (2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol (CID 103922515) is (2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol?
The canonical SMILES for (2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol is CC[C@H](CO)NC(c1ccccc1)C(C)C.
What is the InChIKey of (2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol?
The InChIKey is WOFBOSWCJBVUCE-KWCCSABGSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-13(10-16)15-14(11(2)3)12-8-6-5-7-9-12/h5-9,11,13-16H,4,10H2,1-3H3/t13-,14?/m1/s1.
What are the key properties of (2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol?
(2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol is sourced from PubChem (CID 103922515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).