1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine

C17H16ClNS — CID 103402254

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine
SMILESCc1csc(C(N)Cc2ccc3ccccc3c2)c1Cl
InChIInChI=1S/C17H16ClNS/c1-11-10-20-17(16(11)18)15(19)9-12-6-7-13-4-2-3-5-14(13)8-12/h2-8,10,15H,9,19H2,1H3
InChIKeyYTRWYLVOGLOMGN-UHFFFAOYSA-N
MW301.84 g/mol
LogP5.11
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine

1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine (PubChem CID 103402254) has the molecular formula C17H16ClNS and a molecular weight of 301.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine
PubChem CID103402254
Molecular FormulaC17H16ClNS
Molecular Weight301.84 g/mol
Exact Mass301.07
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine
SMILESCc1csc(C(N)Cc2ccc3ccccc3c2)c1Cl
InChIInChI=1S/C17H16ClNS/c1-11-10-20-17(16(11)18)15(19)9-12-6-7-13-4-2-3-5-14(13)8-12/h2-8,10,15H,9,19H2,1H3
InChIKeyYTRWYLVOGLOMGN-UHFFFAOYSA-N
XLogP5.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.84
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 103402392
1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine
CID 82871275
1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine
CID 63797585
1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine
CID 106861532
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 106867685
1-(3-methylfuran-2-yl)-2-naphthalen-2-ylethanamine
CID 61077731
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103407295
N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 103405840
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103405565
1-(3-chloro-4-methylthiophen-2-yl)pent-3-yn-1-amine
CID 103405396
2-[2-(3-bromophenyl)-1-chloroethyl]-3-chloro-4-methylthiophene
CID 103405712
3-chloro-4-methyl-2-propan-2-ylthiophene
CID 58718163

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine (CID 103402254) is 1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine is Cc1csc(C(N)Cc2ccc3ccccc3c2)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine?
The InChIKey is YTRWYLVOGLOMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNS/c1-11-10-20-17(16(11)18)15(19)9-12-6-7-13-4-2-3-5-14(13)8-12/h2-8,10,15H,9,19H2,1H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine has a molecular weight of 301.84 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine is sourced from PubChem (CID 103402254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).