N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine

C18H18ClNS — CID 103405840

IUPACN-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1scc(C)c1Cl
InChIInChI=1S/C18H18ClNS/c1-3-20-17(18-16(19)12(2)11-21-18)15-9-8-13-6-4-5-7-14(13)10-15/h4-11,17,20H,3H2,1-2H3
InChIKeyBINOGRZPYWLRON-UHFFFAOYSA-N
MW315.87 g/mol
LogP5.56
Rot. Bonds4

About N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine

N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine (PubChem CID 103405840) has the molecular formula C18H18ClNS and a molecular weight of 315.87 g/mol. Its IUPAC name is N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
PubChem CID103405840
Molecular FormulaC18H18ClNS
Molecular Weight315.87 g/mol
Exact Mass315.08
IUPAC NameN-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1scc(C)c1Cl
InChIInChI=1S/C18H18ClNS/c1-3-20-17(18-16(19)12(2)11-21-18)15-9-8-13-6-4-5-7-14(13)10-15/h4-11,17,20H,3H2,1-2H3
InChIKeyBINOGRZPYWLRON-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.87
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 80528896
N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine
CID 103400778
N-[(3-chloro-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 103406913
N-[(3-chloro-4-methylthiophen-2-yl)-(4-propylphenyl)methyl]ethanamine
CID 103400826
N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103407408
5-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 103400805
N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851065
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907
N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 65278880
6-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 103400841
N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115850996
N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 103400889

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine (CID 103405840) is N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine is CCNC(c1ccc2ccccc2c1)c1scc(C)c1Cl.
What is the InChIKey of N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The InChIKey is BINOGRZPYWLRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNS/c1-3-20-17(18-16(19)12(2)11-21-18)15-9-8-13-6-4-5-7-14(13)10-15/h4-11,17,20H,3H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine has a molecular weight of 315.87 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine is sourced from PubChem (CID 103405840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).