2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol

C12H18ClNO2 — CID 65188070

IUPAC2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
SMILESCCC(CN)C(O)c1ccc(Cl)cc1OC
InChIInChI=1S/C12H18ClNO2/c1-3-8(7-14)12(15)10-5-4-9(13)6-11(10)16-2/h4-6,8,12,15H,3,7,14H2,1-2H3
InChIKeyRXLUFJVASGXLHP-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.37
Rot. Bonds5

About 2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol

2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol (PubChem CID 65188070) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
PubChem CID65188070
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
SMILESCCC(CN)C(O)c1ccc(Cl)cc1OC
InChIInChI=1S/C12H18ClNO2/c1-3-8(7-14)12(15)10-5-4-9(13)6-11(10)16-2/h4-6,8,12,15H,3,7,14H2,1-2H3
InChIKeyRXLUFJVASGXLHP-UHFFFAOYSA-N
XLogP2.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
2-(aminomethyl)-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 82891206
3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186666
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525805
1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 105013762
2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol
CID 106790666
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527014
2-(aminomethyl)-1-(2-chloro-4-methylphenyl)butan-1-ol
CID 106864336
3-(4-chloro-2-methoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870123
2-(aminomethyl)-1-(2,4-difluorophenyl)butan-1-ol
CID 65187853
(3S)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 96804173

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol (CID 65188070) is 2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol is CCC(CN)C(O)c1ccc(Cl)cc1OC.
What is the InChIKey of 2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol?
The InChIKey is RXLUFJVASGXLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-3-8(7-14)12(15)10-5-4-9(13)6-11(10)16-2/h4-6,8,12,15H,3,7,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol?
2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol has a molecular weight of 243.73 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 65188070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).