(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine

C14H16ClNS — CID 81356848

IUPAC(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2ccc(Cl)s2)cc1
InChIInChI=1S/C14H16ClNS/c1-10-3-5-12(6-4-10)11(2)16-9-13-7-8-14(15)17-13/h3-8,11,16H,9H2,1-2H3/t11-/m0/s1
InChIKeyPBYGMCJLYJGQPN-NSHDSACASA-N
MW265.81 g/mol
LogP4.56
Rot. Bonds4

About (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine

(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81356848) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID81356848
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2ccc(Cl)s2)cc1
InChIInChI=1S/C14H16ClNS/c1-10-3-5-12(6-4-10)11(2)16-9-13-7-8-14(15)17-13/h3-8,11,16H,9H2,1-2H3/t11-/m0/s1
InChIKeyPBYGMCJLYJGQPN-NSHDSACASA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868
N-[(5-chlorothiophen-2-yl)methyl]-1-[4-(diethylaminosulfanyl)phenyl]ethanamine
CID 142506310
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841664
N-[4-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]propanamide;hydrochloride
CID 47030478
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 28653095
N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 43181722
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182699
(1R)-1-(3-bromophenyl)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81382627
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 28655921
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683186
1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663960

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine (CID 81356848) is (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc([C@H](C)NCc2ccc(Cl)s2)cc1.
What is the InChIKey of (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is PBYGMCJLYJGQPN-NSHDSACASA-N. The full InChI is InChI=1S/C14H16ClNS/c1-10-3-5-12(6-4-10)11(2)16-9-13-7-8-14(15)17-13/h3-8,11,16H,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 265.81 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81356848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).