N-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine

C12H14ClN — CID 171097079

IUPACN-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine
SMILESC=C(NCc1ccccc1Cl)C1CC1
InChIInChI=1S/C12H14ClN/c1-9(10-6-7-10)14-8-11-4-2-3-5-12(11)13/h2-5,10,14H,1,6-8H2
InChIKeyRSYSCAABIFREFH-UHFFFAOYSA-N
MW207.70 g/mol
LogP3.35
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine

N-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine (PubChem CID 171097079) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine
PubChem CID171097079
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC NameN-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine
SMILESC=C(NCc1ccccc1Cl)C1CC1
InChIInChI=1S/C12H14ClN/c1-9(10-6-7-10)14-8-11-4-2-3-5-12(11)13/h2-5,10,14H,1,6-8H2
InChIKeyRSYSCAABIFREFH-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 899098
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148482
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylidenebutanamide
CID 89250743
1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109148495
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
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CID 44586596

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine (CID 171097079) is N-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine is C=C(NCc1ccccc1Cl)C1CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine?
The InChIKey is RSYSCAABIFREFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-9(10-6-7-10)14-8-11-4-2-3-5-12(11)13/h2-5,10,14H,1,6-8H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine?
N-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine has a molecular weight of 207.70 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine is sourced from PubChem (CID 171097079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).