1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine

C11H15ClN2 — CID 116961162

IUPAC1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
SMILESCNC(c1ccc(Cl)cc1)C1(N)CC1
InChIInChI=1S/C11H15ClN2/c1-14-10(11(13)6-7-11)8-2-4-9(12)5-3-8/h2-5,10,14H,6-7,13H2,1H3
InChIKeyPXPXGEWURGQXJZ-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.09
Rot. Bonds3

About 1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine

1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine (PubChem CID 116961162) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
PubChem CID116961162
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
SMILESCNC(c1ccc(Cl)cc1)C1(N)CC1
InChIInChI=1S/C11H15ClN2/c1-14-10(11(13)6-7-11)8-2-4-9(12)5-3-8/h2-5,10,14H,6-7,13H2,1H3
InChIKeyPXPXGEWURGQXJZ-UHFFFAOYSA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961270
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine
CID 116961220
1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine
CID 116961273
1-[methylamino(pyridin-3-yl)methyl]cyclopropan-1-amine
CID 116961279
5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116961253
methyl 1-[(4-chlorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylate
CID 116959110
[(4-chlorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105281123
1-(4-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765668
1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116767179
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961257
6-[(1-aminocyclopropyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 116961235
(1S,2R)-1,2-bis(4-chlorophenyl)-N'-methylethane-1,2-diamine
CID 67126047

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine (CID 116961162) is 1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine is CNC(c1ccc(Cl)cc1)C1(N)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine?
The InChIKey is PXPXGEWURGQXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-14-10(11(13)6-7-11)8-2-4-9(12)5-3-8/h2-5,10,14H,6-7,13H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine?
1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine has a molecular weight of 210.71 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116961162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).