(5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol

C12H18ClNO2 — CID 67179417

IUPAC(5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol
SMILESCO[C@@H](CCC(N)CO)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2/c1-16-12(7-6-11(14)8-15)9-2-4-10(13)5-3-9/h2-5,11-12,15H,6-8,14H2,1H3/t11?,12-/m0/s1
InChIKeyAHWMCAMJXFULMV-KIYNQFGBSA-N
MW243.73 g/mol
LogP2.13
Rot. Bonds6

About (5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol

(5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol (PubChem CID 67179417) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is (5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol.

Molecular Properties

Compound Name(5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol
PubChem CID67179417
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name(5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol
SMILESCO[C@@H](CCC(N)CO)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2/c1-16-12(7-6-11(14)8-15)9-2-4-10(13)5-3-9/h2-5,11-12,15H,6-8,14H2,1H3/t11?,12-/m0/s1
InChIKeyAHWMCAMJXFULMV-KIYNQFGBSA-N
XLogP2.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-5-(4-chlorophenyl)-5-methoxypentanoic acid
CID 57317935
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
propan-2-yl 2-acetyl-5-(4-chlorophenyl)-5-methoxypentanoate
CID 18370903
[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate
CID 175035515
(2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride
CID 70048695
2-(4-chlorophenyl)-2-hydroperoxyethanol
CID 25136213
(3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide
CID 125467780
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
tert-butyl N-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]carbamate
CID 153329637
1-(4-chlorophenyl)-4-methoxybutan-1-amine
CID 62607559
1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine
CID 167921657
2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide
CID 120990898

Frequently Asked Questions

What is the IUPAC name of (5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol?
The IUPAC name of (5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol (CID 67179417) is (5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol.
What is the SMILES notation for (5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol?
The canonical SMILES for (5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol is CO[C@@H](CCC(N)CO)c1ccc(Cl)cc1.
What is the InChIKey of (5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol?
The InChIKey is AHWMCAMJXFULMV-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-16-12(7-6-11(14)8-15)9-2-4-10(13)5-3-9/h2-5,11-12,15H,6-8,14H2,1H3/t11?,12-/m0/s1.
What are the key properties of (5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol?
(5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol has a molecular weight of 243.73 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol is sourced from PubChem (CID 67179417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).