1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine

C11H16ClNO — CID 79617287

IUPAC1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine
SMILESCNC(c1cccc(Cl)c1)C(C)OC
InChIInChI=1S/C11H16ClNO/c1-8(14-3)11(13-2)9-5-4-6-10(12)7-9/h4-8,11,13H,1-3H3
InChIKeyFWJJDGDGFIZXCQ-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.64
Rot. Bonds4

About 1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine

1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine (PubChem CID 79617287) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine
PubChem CID79617287
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine
SMILESCNC(c1cccc(Cl)c1)C(C)OC
InChIInChI=1S/C11H16ClNO/c1-8(14-3)11(13-2)9-5-4-6-10(12)7-9/h4-8,11,13H,1-3H3
InChIKeyFWJJDGDGFIZXCQ-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838557
1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772654
1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine
CID 116715506
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
2-(3-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine
CID 107130479
(1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride
CID 175665348
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81366163
1-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810294
1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N-methylpropan-1-amine
CID 79617292
1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 43480965

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine (CID 79617287) is 1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine is CNC(c1cccc(Cl)c1)C(C)OC.
What is the InChIKey of 1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine?
The InChIKey is FWJJDGDGFIZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8(14-3)11(13-2)9-5-4-6-10(12)7-9/h4-8,11,13H,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine?
1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 79617287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).