1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine

C14H16ClNS — CID 43677636

IUPAC1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1cccs1
InChIInChI=1S/C14H16ClNS/c1-11(16-10-14-3-2-8-17-14)9-12-4-6-13(15)7-5-12/h2-8,11,16H,9-10H2,1H3
InChIKeyQIDHSADFIGIEQA-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.12
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine

1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine (PubChem CID 43677636) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
PubChem CID43677636
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1cccs1
InChIInChI=1S/C14H16ClNS/c1-11(16-10-14-3-2-8-17-14)9-12-4-6-13(15)7-5-12/h2-8,11,16H,9-10H2,1H3
InChIKeyQIDHSADFIGIEQA-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432764
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43432946
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
CID 97358797
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432724
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 43677587
2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62569823
3-(thiophen-2-ylmethylamino)butanoic acid
CID 43536918

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine (CID 43677636) is 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine is CC(Cc1ccc(Cl)cc1)NCc1cccs1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine?
The InChIKey is QIDHSADFIGIEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-11(16-10-14-3-2-8-17-14)9-12-4-6-13(15)7-5-12/h2-8,11,16H,9-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine?
1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine has a molecular weight of 265.81 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 43677636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).