(1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine

C11H16ClNO — CID 130848215

IUPAC(1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1cccc(Cl)c1[C@@H](N)C(C)C
InChIInChI=1S/C11H16ClNO/c1-7(2)11(13)10-8(12)5-4-6-9(10)14-3/h4-7,11H,13H2,1-3H3/t11-/m0/s1
InChIKeyVUWIVWGUHMIJDI-NSHDSACASA-N
MW213.71 g/mol
LogP3.00
Rot. Bonds3

About (1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine

(1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine (PubChem CID 130848215) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine
PubChem CID130848215
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1cccc(Cl)c1[C@@H](N)C(C)C
InChIInChI=1S/C11H16ClNO/c1-7(2)11(13)10-8(12)5-4-6-9(10)14-3/h4-7,11H,13H2,1-3H3/t11-/m0/s1
InChIKeyVUWIVWGUHMIJDI-NSHDSACASA-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

2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 104816241
methyl 4-amino-3-(2-chloro-6-methoxyphenyl)pentanoate
CID 104819020
1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine
CID 83689427
1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol
CID 104817046
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 104818478
2-(1-chloroethyl)-1,3-dimethoxybenzene
CID 130480511
4-amino-4-(2-chloro-6-methoxyphenyl)butanoic acid
CID 117361097
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790
1-(2-chloro-6-methoxyphenyl)ethoxy-triethylsilane
CID 123207858
1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine
CID 117324448

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine (CID 130848215) is (1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine is COc1cccc(Cl)c1[C@@H](N)C(C)C.
What is the InChIKey of (1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine?
The InChIKey is VUWIVWGUHMIJDI-NSHDSACASA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7(2)11(13)10-8(12)5-4-6-9(10)14-3/h4-7,11H,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine?
(1S)-1-(2-chloro-6-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 (1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 130848215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).