(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol

C14H23NO — CID 103922671

IUPAC(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
SMILESCC[C@H](CO)NC(C)CCc1ccccc1
InChIInChI=1S/C14H23NO/c1-3-14(11-16)15-12(2)9-10-13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3/t12?,14-/m1/s1
InChIKeyNOWCSWHXHWNDCY-TYZXPVIJSA-N
MW221.34 g/mol
LogP2.37
Rot. Bonds7

About (2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol

(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol (PubChem CID 103922671) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
PubChem CID103922671
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
SMILESCC[C@H](CO)NC(C)CCc1ccccc1
InChIInChI=1S/C14H23NO/c1-3-14(11-16)15-12(2)9-10-13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3/t12?,14-/m1/s1
InChIKeyNOWCSWHXHWNDCY-TYZXPVIJSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
2-[[(2S)-4-(4-methylphenyl)butan-2-yl]amino]propane-1,3-diol
CID 97323021
2-(4-phenylbutan-2-ylamino)butanoic acid
CID 64669361
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate
CID 107251008
2-(2-phenylethylamino)butan-1-ol
CID 17157372
(2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol
CID 104926136
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2R)-2-(3-phenylpropylamino)butan-1-ol
CID 28724554
N-(4-phenylbutan-2-yl)octan-2-amine
CID 43130021
2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 65037471
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol?
The IUPAC name of (2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol (CID 103922671) is (2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol is CC[C@H](CO)NC(C)CCc1ccccc1.
What is the InChIKey of (2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol?
The InChIKey is NOWCSWHXHWNDCY-TYZXPVIJSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-14(11-16)15-12(2)9-10-13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3/t12?,14-/m1/s1.
What are the key properties of (2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol?
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol is sourced from PubChem (CID 103922671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).