N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine

C18H22ClNS — CID 63523373

IUPACN-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine
SMILESCc1ccccc1CC(CNC1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C18H22ClNS/c1-13-4-2-3-5-15(13)10-14(12-20-16-6-7-16)11-17-8-9-18(19)21-17/h2-5,8-9,14,16,20H,6-7,10-12H2,1H3
InChIKeyLHYXUIPFFFLTKL-UHFFFAOYSA-N
MW319.90 g/mol
LogP4.86
Rot. Bonds7

About N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine

N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine (PubChem CID 63523373) has the molecular formula C18H22ClNS and a molecular weight of 319.90 g/mol. Its IUPAC name is N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine
PubChem CID63523373
Molecular FormulaC18H22ClNS
Molecular Weight319.90 g/mol
Exact Mass319.12
IUPAC NameN-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine
SMILESCc1ccccc1CC(CNC1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C18H22ClNS/c1-13-4-2-3-5-15(13)10-14(12-20-16-6-7-16)11-17-8-9-18(19)21-17/h2-5,8-9,14,16,20H,6-7,10-12H2,1H3
InChIKeyLHYXUIPFFFLTKL-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.90
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine
CID 62516083
N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 115979389
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 62603564
N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 62528331
N-[2-(4-fluorophenyl)-3-(2-methylphenyl)propyl]cyclopropanamine
CID 79431035
N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine
CID 62516670
N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine
CID 62531192
N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine
CID 63521195
2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63521943
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine
CID 62430146
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476
N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63522844

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine (CID 63523373) is N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine is Cc1ccccc1CC(CNC1CC1)Cc1ccc(Cl)s1.
What is the InChIKey of N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine?
The InChIKey is LHYXUIPFFFLTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNS/c1-13-4-2-3-5-15(13)10-14(12-20-16-6-7-16)11-17-8-9-18(19)21-17/h2-5,8-9,14,16,20H,6-7,10-12H2,1H3.
What are the key properties of N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine?
N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine has a molecular weight of 319.90 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine is sourced from PubChem (CID 63523373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).