1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine

C17H20ClNO — CID 43561916

IUPAC1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(OC)cc1Cl
InChIInChI=1S/C17H20ClNO/c1-19-17(11-8-13-6-4-3-5-7-13)15-10-9-14(20-2)12-16(15)18/h3-7,9-10,12,17,19H,8,11H2,1-2H3
InChIKeyRSDPTNOZTJUNRI-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.24
Rot. Bonds6

About 1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine

1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 43561916) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
PubChem CID43561916
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(OC)cc1Cl
InChIInChI=1S/C17H20ClNO/c1-19-17(11-8-13-6-4-3-5-7-13)15-10-9-14(20-2)12-16(15)18/h3-7,9-10,12,17,19H,8,11H2,1-2H3
InChIKeyRSDPTNOZTJUNRI-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43561904
1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine
CID 114752463
2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine
CID 63504239
1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 105397498
3-(3-methoxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 54891056
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43480319
2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene
CID 63434589
1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 63417262
2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene
CID 63434208
1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864663

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine (CID 43561916) is 1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1ccc(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is RSDPTNOZTJUNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-19-17(11-8-13-6-4-3-5-7-13)15-10-9-14(20-2)12-16(15)18/h3-7,9-10,12,17,19H,8,11H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 43561916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).