(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine

C16H14ClNS — CID 102763371

IUPAC(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine
SMILESCc1cc(C(N)c2ccc3ccccc3c2)sc1Cl
InChIInChI=1S/C16H14ClNS/c1-10-8-14(19-16(10)17)15(18)13-7-6-11-4-2-3-5-12(11)9-13/h2-9,15H,18H2,1H3
InChIKeyVBCODMOOHHPVCD-UHFFFAOYSA-N
MW287.82 g/mol
LogP4.91
Rot. Bonds2

About (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine

(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine (PubChem CID 102763371) has the molecular formula C16H14ClNS and a molecular weight of 287.82 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine
PubChem CID102763371
Molecular FormulaC16H14ClNS
Molecular Weight287.82 g/mol
Exact Mass287.05
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine
SMILESCc1cc(C(N)c2ccc3ccccc3c2)sc1Cl
InChIInChI=1S/C16H14ClNS/c1-10-8-14(19-16(10)17)15(18)13-7-6-11-4-2-3-5-12(11)9-13/h2-9,15H,18H2,1H3
InChIKeyVBCODMOOHHPVCD-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol
CID 102764365
(5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine
CID 102763514
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102763534
(5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine
CID 114023515
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 102763420
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764996
(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021067
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 102763507
(2-fluoro-3-methylphenyl)-naphthalen-2-ylmethanamine
CID 115850991
1-naphthalen-2-ylethanamine
CID 3857145
(5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine
CID 43559249

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine (CID 102763371) is (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine is Cc1cc(C(N)c2ccc3ccccc3c2)sc1Cl.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine?
The InChIKey is VBCODMOOHHPVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNS/c1-10-8-14(19-16(10)17)15(18)13-7-6-11-4-2-3-5-12(11)9-13/h2-9,15H,18H2,1H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine?
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine has a molecular weight of 287.82 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine is sourced from PubChem (CID 102763371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).