(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol

C12H18ClNO2 — CID 103854792

IUPAC(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
SMILESCOc1cccc(Cl)c1CN[C@H](C)CCO
InChIInChI=1S/C12H18ClNO2/c1-9(6-7-15)14-8-10-11(13)4-3-5-12(10)16-2/h3-5,9,14-15H,6-8H2,1-2H3/t9-/m1/s1
InChIKeyLBLZABBAABGYIX-SECBINFHSA-N
MW243.73 g/mol
LogP2.21
Rot. Bonds6

About (3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol

(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol (PubChem CID 103854792) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is (3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
PubChem CID103854792
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
SMILESCOc1cccc(Cl)c1CN[C@H](C)CCO
InChIInChI=1S/C12H18ClNO2/c1-9(6-7-15)14-8-10-11(13)4-3-5-12(10)16-2/h3-5,9,14-15H,6-8H2,1-2H3/t9-/m1/s1
InChIKeyLBLZABBAABGYIX-SECBINFHSA-N
XLogP2.21
TPSA41.49 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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine
CID 104815707
N-[(2-chloro-6-methoxyphenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 103291891
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
3-[(2-chloro-6-methoxyphenyl)methylamino]butanenitrile
CID 104586922
2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 113456327
(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103924290
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613
4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
CID 103292031
2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide
CID 106344568
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 104815787
(3R)-3-[(2-chlorophenyl)methylamino]butan-1-ol
CID 103854781

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of (3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol (CID 103854792) is (3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for (3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol is COc1cccc(Cl)c1CN[C@H](C)CCO.
What is the InChIKey of (3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol?
The InChIKey is LBLZABBAABGYIX-SECBINFHSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-9(6-7-15)14-8-10-11(13)4-3-5-12(10)16-2/h3-5,9,14-15H,6-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol?
(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol has a molecular weight of 243.73 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 103854792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).