N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

C18H22ClNS — CID 43786611

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NC(c1ccc(Cl)cc1)C1CC1)c1cccs1
InChIInChI=1S/C18H22ClNS/c1-12(2)17(16-4-3-11-21-16)20-18(13-5-6-13)14-7-9-15(19)10-8-14/h3-4,7-13,17-18,20H,5-6H2,1-2H3
InChIKeyJUMHCRKOCOZICU-UHFFFAOYSA-N
MW319.90 g/mol
LogP5.84
Rot. Bonds6

About N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 43786611) has the molecular formula C18H22ClNS and a molecular weight of 319.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID43786611
Molecular FormulaC18H22ClNS
Molecular Weight319.90 g/mol
Exact Mass319.12
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NC(c1ccc(Cl)cc1)C1CC1)c1cccs1
InChIInChI=1S/C18H22ClNS/c1-12(2)17(16-4-3-11-21-16)20-18(13-5-6-13)14-7-9-15(19)10-8-14/h3-4,7-13,17-18,20H,5-6H2,1-2H3
InChIKeyJUMHCRKOCOZICU-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.90
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
CID 104827637
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43782979
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43724241
cumene;2,3-dimethylbutane;propan-2-ylcyclopropane;2-propan-2-ylthiophene
CID 159329708
N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43722970
(1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81378755
N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine
CID 63477442
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
CID 60666904

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 43786611) is N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is CC(C)C(NC(c1ccc(Cl)cc1)C1CC1)c1cccs1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is JUMHCRKOCOZICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNS/c1-12(2)17(16-4-3-11-21-16)20-18(13-5-6-13)14-7-9-15(19)10-8-14/h3-4,7-13,17-18,20H,5-6H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 319.90 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43786611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).