1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine

C17H19NO — CID 172875841

IUPAC1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2cccc(-c3cccc(OC)c3)c2)CC1
InChIInChI=1S/C17H19NO/c1-18-17(9-10-17)15-7-3-5-13(11-15)14-6-4-8-16(12-14)19-2/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyBLKFVIGWBLICAH-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.57
Rot. Bonds4

About 1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine

1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine (PubChem CID 172875841) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine
PubChem CID172875841
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2cccc(-c3cccc(OC)c3)c2)CC1
InChIInChI=1S/C17H19NO/c1-18-17(9-10-17)15-7-3-5-13(11-15)14-6-4-8-16(12-14)19-2/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyBLKFVIGWBLICAH-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(3-phenylmethoxyphenyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 172875844
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
N-methyl-1-[3-(3-methylsulfonylphenyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 172875850
1-[3-(2,5-dimethylphenyl)phenyl]-N-methylcyclopropan-1-amine
CID 172875889
methyl 3-[1-(methylamino)cyclopropyl]benzoate
CID 155255680
1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine
CID 172875891
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride
CID 175203393
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
CID 57461569
1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile
CID 169408841

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine (CID 172875841) is 1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine is CNC1(c2cccc(-c3cccc(OC)c3)c2)CC1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine?
The InChIKey is BLKFVIGWBLICAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-18-17(9-10-17)15-7-3-5-13(11-15)14-6-4-8-16(12-14)19-2/h3-8,11-12,18H,9-10H2,1-2H3.
What are the key properties of 1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine?
1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 172875841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).