1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine

C11H16ClNO — CID 83689427

IUPAC1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1c(Cl)cccc1C(N)C(C)C
InChIInChI=1S/C11H16ClNO/c1-7(2)10(13)8-5-4-6-9(12)11(8)14-3/h4-7,10H,13H2,1-3H3
InChIKeyFFNGRCLNNYHSMK-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.00
Rot. Bonds3

About 1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine

1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine (PubChem CID 83689427) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine
PubChem CID83689427
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1c(Cl)cccc1C(N)C(C)C
InChIInChI=1S/C11H16ClNO/c1-7(2)10(13)8-5-4-6-9(12)11(8)14-3/h4-7,10H,13H2,1-3H3
InChIKeyFFNGRCLNNYHSMK-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790
(1S)-1-(3-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 55270391
2-amino-2-(3-chloro-2-methoxyphenyl)ethanol
CID 82608026
(1S)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine
CID 130740924
(1R)-1-(2-bromo-3-chlorophenyl)-2-methylpropan-1-amine
CID 131107919
(1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine
CID 130848215
ethyl 2-(3-chloro-2-methoxyphenyl)propanoate
CID 70047747
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
2-methyl-1-(5-methylnaphthalen-1-yl)propan-1-amine
CID 130152612
3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol
CID 130664696
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 82619390

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine (CID 83689427) is 1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine is COc1c(Cl)cccc1C(N)C(C)C.
What is the InChIKey of 1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine?
The InChIKey is FFNGRCLNNYHSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7(2)10(13)8-5-4-6-9(12)11(8)14-3/h4-7,10H,13H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine?
1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 83689427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).