3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine

C15H18ClN — CID 175208166

IUPAC3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
SMILESCC(NCCCCl)c1cccc2ccccc12
InChIInChI=1S/C15H18ClN/c1-12(17-11-5-10-16)14-9-4-7-13-6-2-3-8-15(13)14/h2-4,6-9,12,17H,5,10-11H2,1H3
InChIKeyKYCQFVOHIIRTEH-UHFFFAOYSA-N
MW247.77 g/mol
LogP4.12
Rot. Bonds5

About 3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine

3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine (PubChem CID 175208166) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is 3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
PubChem CID175208166
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
SMILESCC(NCCCCl)c1cccc2ccccc12
InChIInChI=1S/C15H18ClN/c1-12(17-11-5-10-16)14-9-4-7-13-6-2-3-8-15(13)14/h2-4,6-9,12,17H,5,10-11H2,1H3
InChIKeyKYCQFVOHIIRTEH-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 54480749
3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride
CID 71723808
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103729405
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
N-(1-naphthalen-1-ylethyl)but-3-en-1-amine
CID 115899601
3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 71020754
N-[2-(1-naphthalen-1-ylethylamino)ethyl]methanesulfonamide
CID 43208119
3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine
CID 130392686
1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106427136

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine?
The IUPAC name of 3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine (CID 175208166) is 3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine.
What is the SMILES notation for 3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine?
The canonical SMILES for 3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine is CC(NCCCCl)c1cccc2ccccc12.
What is the InChIKey of 3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine?
The InChIKey is KYCQFVOHIIRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN/c1-12(17-11-5-10-16)14-9-4-7-13-6-2-3-8-15(13)14/h2-4,6-9,12,17H,5,10-11H2,1H3.
What are the key properties of 3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine?
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine has a molecular weight of 247.77 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine is sourced from PubChem (CID 175208166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).