N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine

C19H18ClN — CID 170604513

IUPACN-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine
SMILESClc1ccc2cccc(CCNCc3ccccc3)c2c1
InChIInChI=1S/C19H18ClN/c20-18-10-9-16-7-4-8-17(19(16)13-18)11-12-21-14-15-5-2-1-3-6-15/h1-10,13,21H,11-12,14H2
InChIKeyFCFIFDIHJJOLOW-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.83
Rot. Bonds5

About N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine

N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine (PubChem CID 170604513) has the molecular formula C19H18ClN and a molecular weight of 295.81 g/mol. Its IUPAC name is N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine
PubChem CID170604513
Molecular FormulaC19H18ClN
Molecular Weight295.81 g/mol
Exact Mass295.11
IUPAC NameN-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine
SMILESClc1ccc2cccc(CCNCc3ccccc3)c2c1
InChIInChI=1S/C19H18ClN/c20-18-10-9-16-7-4-8-17(19(16)13-18)11-12-21-14-15-5-2-1-3-6-15/h1-10,13,21H,11-12,14H2
InChIKeyFCFIFDIHJJOLOW-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
N-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine
CID 68867683
2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 39380174
N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine
CID 66161236
N-benzyl-2-(2,3-diethoxyphenyl)ethanamine
CID 69362422
3-[[2-(2,4-dichlorophenyl)ethylamino]methyl]benzoic acid
CID 103233798
2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline
CID 54795871
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 114841353
N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine
CID 30053289
bis(4-phenyl-N-[[5-[(4-phenylbutylamino)methyl]anthracen-1-yl]methyl]butan-1-amine);hydrate;tetrahydrochloride
CID 170908944

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine?
The IUPAC name of N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine (CID 170604513) is N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine is Clc1ccc2cccc(CCNCc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine?
The InChIKey is FCFIFDIHJJOLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN/c20-18-10-9-16-7-4-8-17(19(16)13-18)11-12-21-14-15-5-2-1-3-6-15/h1-10,13,21H,11-12,14H2.
What are the key properties of N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine?
N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine has a molecular weight of 295.81 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 170604513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).