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

C15H18ClNS — CID 43694725

IUPAC1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
SMILESCc1ccc(CNC(C)Cc2cccc(Cl)c2)s1
InChIInChI=1S/C15H18ClNS/c1-11(8-13-4-3-5-14(16)9-13)17-10-15-7-6-12(2)18-15/h3-7,9,11,17H,8,10H2,1-2H3
InChIKeyIOPRUDWZLQZHOG-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.43
Rot. Bonds5

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

1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine (PubChem CID 43694725) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
PubChem CID43694725
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
SMILESCc1ccc(CNC(C)Cc2cccc(Cl)c2)s1
InChIInChI=1S/C15H18ClNS/c1-11(8-13-4-3-5-14(16)9-13)17-10-15-7-6-12(2)18-15/h3-7,9,11,17H,8,10H2,1-2H3
InChIKeyIOPRUDWZLQZHOG-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[1-(3-chlorophenyl)propan-2-ylamino]methyl]thiophene-2-carbonitrile
CID 115675586
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085
1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 62742896
1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 43694798
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115633676
1-(3-chlorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63050519
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
N-[(3-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-2-amine
CID 113297998
4-[[1-(3-chlorophenyl)propan-2-ylamino]methyl]benzonitrile
CID 43694814
1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43694717
1-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)propan-2-amine
CID 63697757
1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine (CID 43694725) is 1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine is Cc1ccc(CNC(C)Cc2cccc(Cl)c2)s1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
The InChIKey is IOPRUDWZLQZHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-11(8-13-4-3-5-14(16)9-13)17-10-15-7-6-12(2)18-15/h3-7,9,11,17H,8,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine has a molecular weight of 279.84 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 43694725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).