N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine

C15H18ClNOS — CID 43494415

IUPACN-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H18ClNOS/c1-3-7-17-15(12-6-8-19-10-12)11-4-5-14(18-2)13(16)9-11/h4-6,8-10,15,17H,3,7H2,1-2H3
InChIKeyLGXJXPDLHNHVQQ-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.50
Rot. Bonds6

About N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine

N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine (PubChem CID 43494415) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
PubChem CID43494415
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC NameN-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H18ClNOS/c1-3-7-17-15(12-6-8-19-10-12)11-4-5-14(18-2)13(16)9-11/h4-6,8-10,15,17H,3,7H2,1-2H3
InChIKeyLGXJXPDLHNHVQQ-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988346
N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81121964
N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine
CID 43494447
N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43493887
N-[(3-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 65237089
N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43496041
N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 80529345
N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine
CID 43495365
N-[(3-bromo-4-methoxyphenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43493876
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
1-(3-chloro-4-methoxyphenyl)-N-propylethane-1,2-diamine
CID 65021451
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine (CID 43494415) is N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine is CCCNC(c1ccsc1)c1ccc(OC)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The InChIKey is LGXJXPDLHNHVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-3-7-17-15(12-6-8-19-10-12)11-4-5-14(18-2)13(16)9-11/h4-6,8-10,15,17H,3,7H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine has a molecular weight of 295.84 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 43494415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).