1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine

C19H22ClN — CID 172863995

IUPAC1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CC1(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H22ClN/c1-21(2)14-17-13-19(17,16-6-4-3-5-7-16)12-15-8-10-18(20)11-9-15/h3-11,17H,12-14H2,1-2H3
InChIKeyZSUIVGFKRHPJPP-UHFFFAOYSA-N
MW299.85 g/mol
LogP4.40
Rot. Bonds5

About 1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine

1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine (PubChem CID 172863995) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine
PubChem CID172863995
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CC1(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H22ClN/c1-21(2)14-17-13-19(17,16-6-4-3-5-7-16)12-15-8-10-18(20)11-9-15/h3-11,17H,12-14H2,1-2H3
InChIKeyZSUIVGFKRHPJPP-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine
CID 62707852
2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carbonyl chloride
CID 13208107
4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 23105878
[(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol
CID 46702611
[1-(4-chlorophenyl)-2-methylcyclopropyl]methanol
CID 116842443
1-chloro-4-[2-chloro-2-(1-phenylcyclopropyl)ethyl]benzene
CID 63543000
3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
CID 79451717
1-[(4-chlorophenyl)methyl]-1-N,1-N-dimethylcyclohexane-1,4-diamine
CID 68892096
1-chloro-4-[(1-methylcyclopropyl)methyl]benzene
CID 134855306
8-[(4-chlorophenyl)methyl]-1,12-dimethyl-19-azapentacyclo[10.6.1.02,7.08,10.013,18]nonadeca-2,4,6,13,15,17-hexaene
CID 163563707
1-chloro-4-(1,2-diphenylcyclopropyl)benzene
CID 166440166
1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol
CID 13247476

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine (CID 172863995) is 1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine is CN(C)CC1CC1(Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine?
The InChIKey is ZSUIVGFKRHPJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-21(2)14-17-13-19(17,16-6-4-3-5-7-16)12-15-8-10-18(20)11-9-15/h3-11,17H,12-14H2,1-2H3.
What are the key properties of 1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine?
1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine has a molecular weight of 299.85 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 172863995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).