(4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol

C15H25NO — CID 99849214

IUPAC(4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol
SMILESCc1cccc([C@H](C)N[C@@H](C)CCCO)c1C
InChIInChI=1S/C15H25NO/c1-11-7-5-9-15(13(11)3)14(4)16-12(2)8-6-10-17/h5,7,9,12,14,16-17H,6,8,10H2,1-4H3/t12-,14-/m0/s1
InChIKeyLBPJKSQKEQGRLY-JSGCOSHPSA-N
MW235.37 g/mol
LogP3.12
Rot. Bonds6

About (4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol

(4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol (PubChem CID 99849214) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name(4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol
PubChem CID99849214
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol
SMILESCc1cccc([C@H](C)N[C@@H](C)CCCO)c1C
InChIInChI=1S/C15H25NO/c1-11-7-5-9-15(13(11)3)14(4)16-12(2)8-6-10-17/h5,7,9,12,14,16-17H,6,8,10H2,1-4H3/t12-,14-/m0/s1
InChIKeyLBPJKSQKEQGRLY-JSGCOSHPSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,3-dimethylphenyl)ethylamino]propane-1,3-diol
CID 115724144
N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine
CID 115705431
(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol
CID 97051530
N-[1-(2-methylphenyl)ethyl]heptan-2-amine
CID 43109011
N-[1-(2-methylphenyl)ethyl]octan-2-amine
CID 43129972
N-[1-(2-methylphenyl)ethyl]nonan-2-amine
CID 43129973
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol
CID 97051651
4-(2-fluoro-3-methylanilino)pentan-1-ol
CID 115976062
butan-1-ol;1,2,3-trimethylbenzene
CID 174803565
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol
CID 81339355

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol?
The IUPAC name of (4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol (CID 99849214) is (4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for (4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol?
The canonical SMILES for (4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol is Cc1cccc([C@H](C)N[C@@H](C)CCCO)c1C.
What is the InChIKey of (4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol?
The InChIKey is LBPJKSQKEQGRLY-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-7-5-9-15(13(11)3)14(4)16-12(2)8-6-10-17/h5,7,9,12,14,16-17H,6,8,10H2,1-4H3/t12-,14-/m0/s1.
What are the key properties of (4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol?
(4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 99849214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).