N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine

C14H16ClNS — CID 107360611

IUPACN-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2sccc2Cl)c1
InChIInChI=1S/C14H16ClNS/c1-2-7-16-10-11-4-3-5-12(9-11)14-13(15)6-8-17-14/h3-6,8-9,16H,2,7,10H2,1H3
InChIKeyGNTXEXAJQIQDQU-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.57
Rot. Bonds5

About N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine

N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine (PubChem CID 107360611) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine
PubChem CID107360611
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC NameN-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2sccc2Cl)c1
InChIInChI=1S/C14H16ClNS/c1-2-7-16-10-11-4-3-5-12(9-11)14-13(15)6-8-17-14/h3-6,8-9,16H,2,7,10H2,1H3
InChIKeyGNTXEXAJQIQDQU-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-4-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine
CID 107360597
N-[[3-(2,4,6-trichlorophenyl)phenyl]methyl]propan-1-amine
CID 105350076
N-[[3-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]propan-1-amine
CID 63424827
N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424520
N-[[5-chloro-2-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine
CID 107360564
N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine
CID 134812598
N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424448
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296
3-(propylaminomethyl)phenol
CID 10725714
N-[(3-phenylphenyl)methyl]butan-1-amine
CID 143730609
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine
CID 63428115
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine (CID 107360611) is N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine is CCCNCc1cccc(-c2sccc2Cl)c1.
What is the InChIKey of N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine?
The InChIKey is GNTXEXAJQIQDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-2-7-16-10-11-4-3-5-12(9-11)14-13(15)6-8-17-14/h3-6,8-9,16H,2,7,10H2,1H3.
What are the key properties of N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine?
N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine has a molecular weight of 265.81 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 107360611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).