1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine

C19H23NO — CID 71862794

IUPAC1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine
SMILESCOc1cccc(C(C)NCC2(c3ccccc3)CC2)c1
InChIInChI=1S/C19H23NO/c1-15(16-7-6-10-18(13-16)21-2)20-14-19(11-12-19)17-8-4-3-5-9-17/h3-10,13,15,20H,11-12,14H2,1-2H3
InChIKeyWBLJEOBNQZEEFG-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.08
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine

1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine (PubChem CID 71862794) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine
PubChem CID71862794
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine
SMILESCOc1cccc(C(C)NCC2(c3ccccc3)CC2)c1
InChIInChI=1S/C19H23NO/c1-15(16-7-6-10-18(13-16)21-2)20-14-19(11-12-19)17-8-4-3-5-9-17/h3-10,13,15,20H,11-12,14H2,1-2H3
InChIKeyWBLJEOBNQZEEFG-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
CID 103903248
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-phenylpropanenitrile
CID 81355239
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594249
1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976496
N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N-[(1R)-1-(3-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 81372969
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893847
3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934760
1-N-[1-(3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913145

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine (CID 71862794) is 1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine is COc1cccc(C(C)NCC2(c3ccccc3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is WBLJEOBNQZEEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15(16-7-6-10-18(13-16)21-2)20-14-19(11-12-19)17-8-4-3-5-9-17/h3-10,13,15,20H,11-12,14H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine?
1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 71862794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).