N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride

C13H16ClN — CID 17290740

IUPACN-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
SMILESCCNCc1cccc2ccccc12.Cl
InChIInChI=1S/C13H15N.ClH/c1-2-14-10-12-8-5-7-11-6-3-4-9-13(11)12;/h3-9,14H,2,10H2,1H3;1H
InChIKeyUKGBLFWKHATJOR-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.37
Rot. Bonds3

About N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride

N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride (PubChem CID 17290740) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
PubChem CID17290740
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC NameN-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
SMILESCCNCc1cccc2ccccc12.Cl
InChIInChI=1S/C13H15N.ClH/c1-2-14-10-12-8-5-7-11-6-3-4-9-13(11)12;/h3-9,14H,2,10H2,1H3;1H
InChIKeyUKGBLFWKHATJOR-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
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N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
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2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine
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N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride
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3-(ethylamino)-2-methyl-N-(naphthalen-1-ylmethyl)propanamide
CID 62839648
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 115250859
2-(ethylaminomethyl)phenol
CID 12995218
N-(naphthalen-1-ylmethyl)but-2-yn-1-amine
CID 62369584
2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 81419243
N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine
CID 130243752

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride (CID 17290740) is N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride is CCNCc1cccc2ccccc12.Cl.
What is the InChIKey of N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride?
The InChIKey is UKGBLFWKHATJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.ClH/c1-2-14-10-12-8-5-7-11-6-3-4-9-13(11)12;/h3-9,14H,2,10H2,1H3;1H.
What are the key properties of N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride?
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 17290740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).