1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine

C16H18ClNO — CID 116772654

IUPAC1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
SMILESCNC(c1cccc(Cl)c1)C(OC)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-18-15(13-9-6-10-14(17)11-13)16(19-2)12-7-4-3-5-8-12/h3-11,15-16,18H,1-2H3
InChIKeySFKLTQQYNKXTRN-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.99
Rot. Bonds5

About 1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine

1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine (PubChem CID 116772654) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
PubChem CID116772654
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
SMILESCNC(c1cccc(Cl)c1)C(OC)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-18-15(13-9-6-10-14(17)11-13)16(19-2)12-7-4-3-5-8-12/h3-11,15-16,18H,1-2H3
InChIKeySFKLTQQYNKXTRN-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772626
(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838557
1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine
CID 79617287
1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine
CID 116715506
1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772649
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine
CID 116773119
1-(2,3-difluoro-4-methylphenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 107513901
2-ethoxy-1-(3-ethylphenyl)-N-methyl-2-phenylethanamine
CID 116773666
1-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810294
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773143
2-(3-chlorophenyl)sulfanyl-N,3-dimethyl-1-phenylbutan-1-amine
CID 64633706

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine (CID 116772654) is 1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine is CNC(c1cccc(Cl)c1)C(OC)c1ccccc1.
What is the InChIKey of 1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine?
The InChIKey is SFKLTQQYNKXTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-18-15(13-9-6-10-14(17)11-13)16(19-2)12-7-4-3-5-8-12/h3-11,15-16,18H,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine?
1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine has a molecular weight of 275.78 g/mol, XLogP of 3.99, 5 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-methyl-2-phenylethanamine is sourced from PubChem (CID 116772654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).