1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

C16H16ClNS — CID 17289837

IUPAC1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1csc(CNCc2cccc3ccccc23)c1
InChIInChI=1S/C16H15NS.ClH/c1-2-9-16-13(5-1)6-3-7-14(16)11-17-12-15-8-4-10-18-15;/h1-10,17H,11-12H2;1H
InChIKeyOTPVOQNXDXGGOU-UHFFFAOYSA-N
MW289.83 g/mol
LogP4.61
Rot. Bonds4

About 1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (PubChem CID 17289837) has the molecular formula C16H16ClNS and a molecular weight of 289.83 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
PubChem CID17289837
Molecular FormulaC16H16ClNS
Molecular Weight289.83 g/mol
Exact Mass289.07
IUPAC Name1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1csc(CNCc2cccc3ccccc23)c1
InChIInChI=1S/C16H15NS.ClH/c1-2-9-16-13(5-1)6-3-7-14(16)11-17-12-15-8-4-10-18-15;/h1-10,17H,11-12H2;1H
InChIKeyOTPVOQNXDXGGOU-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(naphthalen-1-ylmethyl)thiophene
CID 23454862
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60704292
2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 7676413
1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43221014
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526416
1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 3162096
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol
CID 62606396
1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 115604829
N'-(2-naphthalen-1-ylacetyl)-3-thiophen-2-ylpropanehydrazide
CID 42386767

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (CID 17289837) is 1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is Cl.c1csc(CNCc2cccc3ccccc23)c1.
What is the InChIKey of 1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is OTPVOQNXDXGGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS.ClH/c1-2-9-16-13(5-1)6-3-7-14(16)11-17-12-15-8-4-10-18-15;/h1-10,17H,11-12H2;1H.
What are the key properties of 1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 289.83 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 17289837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).