(2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol

C15H23ClN2O2 — CID 161499229

IUPAC(2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol
SMILESN[C@@H](Cc1cccc(Cl)c1)[C@H](O)CNC1CCOCC1
InChIInChI=1S/C15H23ClN2O2/c16-12-3-1-2-11(8-12)9-14(17)15(19)10-18-13-4-6-20-7-5-13/h1-3,8,13-15,18-19H,4-7,9-10,17H2/t14-,15+/m0/s1
InChIKeyWGPRJZQJQIBOJD-LSDHHAIUSA-N
MW298.81 g/mol
LogP1.34
Rot. Bonds6

About (2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol

(2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol (PubChem CID 161499229) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol
PubChem CID161499229
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol
SMILESN[C@@H](Cc1cccc(Cl)c1)[C@H](O)CNC1CCOCC1
InChIInChI=1S/C15H23ClN2O2/c16-12-3-1-2-11(8-12)9-14(17)15(19)10-18-13-4-6-20-7-5-13/h1-3,8,13-15,18-19H,4-7,9-10,17H2/t14-,15+/m0/s1
InChIKeyWGPRJZQJQIBOJD-LSDHHAIUSA-N
XLogP1.34
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-3-amino-4-(3-chlorophenyl)-1-(cyclopropylamino)butan-2-ol;bis(4-methylbenzenesulfonic acid)
CID 172838283
1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 54937624
N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine
CID 65081836
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine
CID 83183192
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
3-amino-1-(3-chlorophenyl)butan-2-ol
CID 82397554
1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362149
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120784240
N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine
CID 113361839
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784239

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol?
The IUPAC name of (2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol (CID 161499229) is (2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol is N[C@@H](Cc1cccc(Cl)c1)[C@H](O)CNC1CCOCC1.
What is the InChIKey of (2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol?
The InChIKey is WGPRJZQJQIBOJD-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c16-12-3-1-2-11(8-12)9-14(17)15(19)10-18-13-4-6-20-7-5-13/h1-3,8,13-15,18-19H,4-7,9-10,17H2/t14-,15+/m0/s1.
What are the key properties of (2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol?
(2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol has a molecular weight of 298.81 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol is sourced from PubChem (CID 161499229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).