(2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol

C14H21ClN2O3 — CID 144811664

IUPAC(2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol
SMILESCOc1cc(C(O)[C@H](N)CN2CCC2)cc(Cl)c1OC
InChIInChI=1S/C14H21ClN2O3/c1-19-12-7-9(6-10(15)14(12)20-2)13(18)11(16)8-17-4-3-5-17/h6-7,11,13,18H,3-5,8,16H2,1-2H3/t11-,13?/m1/s1
InChIKeyMUJWRQYOPWHHMT-JTDNENJMSA-N
MW300.79 g/mol
LogP1.42
Rot. Bonds6

About (2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol

(2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol (PubChem CID 144811664) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is (2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol
PubChem CID144811664
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name(2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol
SMILESCOc1cc(C(O)[C@H](N)CN2CCC2)cc(Cl)c1OC
InChIInChI=1S/C14H21ClN2O3/c1-19-12-7-9(6-10(15)14(12)20-2)13(18)11(16)8-17-4-3-5-17/h6-7,11,13,18H,3-5,8,16H2,1-2H3/t11-,13?/m1/s1
InChIKeyMUJWRQYOPWHHMT-JTDNENJMSA-N
XLogP1.42
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 11652165
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 82120406
(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
CID 54878443
1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 82123734
(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
CID 82931298
3-amino-3-(3-chloro-4,5-dimethoxyphenyl)propanoic acid
CID 170872581
1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
CID 85213872
1-(3-chloro-4,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 62601776
(1S,2R)-1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 122470872
1-(3-chloro-4,5-dimethoxyphenyl)but-3-en-1-ol
CID 61380155
2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 75069436
1-(3-chloro-4,5-dimethoxyphenyl)pent-4-yn-1-amine
CID 63655288

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol?
The IUPAC name of (2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol (CID 144811664) is (2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol is COc1cc(C(O)[C@H](N)CN2CCC2)cc(Cl)c1OC.
What is the InChIKey of (2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol?
The InChIKey is MUJWRQYOPWHHMT-JTDNENJMSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-19-12-7-9(6-10(15)14(12)20-2)13(18)11(16)8-17-4-3-5-17/h6-7,11,13,18H,3-5,8,16H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of (2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol?
(2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol has a molecular weight of 300.79 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 144811664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).