N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine

C18H21NO — CID 147734496

IUPACN-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1ccc(CC2(NCc3ccccc3)CC2)cc1
InChIInChI=1S/C18H21NO/c1-20-17-9-7-15(8-10-17)13-18(11-12-18)19-14-16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3
InChIKeyGZBXSKKLFWKXPY-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.56
Rot. Bonds6

About N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine

N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 147734496) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID147734496
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1ccc(CC2(NCc3ccccc3)CC2)cc1
InChIInChI=1S/C18H21NO/c1-20-17-9-7-15(8-10-17)13-18(11-12-18)19-14-16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3
InChIKeyGZBXSKKLFWKXPY-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-(2-phenylethynyl)cyclopentan-1-amine
CID 134835753
N-[(4-methoxyphenyl)methyl]-1-(2-phenylethynyl)cycloheptan-1-amine
CID 134835752
1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 65029969
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
1-benzyl-N-tert-butylcyclopropan-1-amine
CID 143056256
1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974834
1-[(4-methoxyphenyl)methyl]-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077065
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine (CID 147734496) is N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine is COc1ccc(CC2(NCc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is GZBXSKKLFWKXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-17-9-7-15(8-10-17)13-18(11-12-18)19-14-16-5-3-2-4-6-16/h2-10,19H,11-14H2,1H3.
What are the key properties of N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine?
N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 147734496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).