1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine

C16H20ClNS — CID 63428003

IUPAC1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)Cc2ccccc2Cl)c(C)s1
InChIInChI=1S/C16H20ClNS/c1-11(8-14-6-4-5-7-16(14)17)18-10-15-9-12(2)19-13(15)3/h4-7,9,11,18H,8,10H2,1-3H3
InChIKeyZXALURBZFWZIBH-UHFFFAOYSA-N
MW293.86 g/mol
LogP4.74
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine

1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine (PubChem CID 63428003) has the molecular formula C16H20ClNS and a molecular weight of 293.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine
PubChem CID63428003
Molecular FormulaC16H20ClNS
Molecular Weight293.86 g/mol
Exact Mass293.10
IUPAC Name1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine
SMILESCc1cc(CNC(C)Cc2ccccc2Cl)c(C)s1
InChIInChI=1S/C16H20ClNS/c1-11(8-14-6-4-5-7-16(14)17)18-10-15-9-12(2)19-13(15)3/h4-7,9,11,18H,8,10H2,1-3H3
InChIKeyZXALURBZFWZIBH-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.86
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 43677455
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
4-bromo-2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 107737675
2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]-6-fluorophenol
CID 115951107
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252
N-[(2,5-dimethylthiophen-3-yl)methyl]-3-ethylpentan-2-amine
CID 63842249
2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167666
1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43677530
N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine
CID 62964473
1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
CID 43677533
1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine
CID 62761568

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine (CID 63428003) is 1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine is Cc1cc(CNC(C)Cc2ccccc2Cl)c(C)s1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine?
The InChIKey is ZXALURBZFWZIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS/c1-11(8-14-6-4-5-7-16(14)17)18-10-15-9-12(2)19-13(15)3/h4-7,9,11,18H,8,10H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine?
1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine has a molecular weight of 293.86 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 63428003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).