(4-chloronaphthalen-1-yl)-cyclohexylmethanamine

C17H20ClN — CID 79596753

IUPAC(4-chloronaphthalen-1-yl)-cyclohexylmethanamine
SMILESNC(c1ccc(Cl)c2ccccc12)C1CCCCC1
InChIInChI=1S/C17H20ClN/c18-16-11-10-15(13-8-4-5-9-14(13)16)17(19)12-6-2-1-3-7-12/h4-5,8-12,17H,1-3,6-7,19H2
InChIKeyWITPYFASZLNKGF-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.07
Rot. Bonds2

About (4-chloronaphthalen-1-yl)-cyclohexylmethanamine

(4-chloronaphthalen-1-yl)-cyclohexylmethanamine (PubChem CID 79596753) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-cyclohexylmethanamine
PubChem CID79596753
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name(4-chloronaphthalen-1-yl)-cyclohexylmethanamine
SMILESNC(c1ccc(Cl)c2ccccc12)C1CCCCC1
InChIInChI=1S/C17H20ClN/c18-16-11-10-15(13-8-4-5-9-14(13)16)17(19)12-6-2-1-3-7-12/h4-5,8-12,17H,1-3,6-7,19H2
InChIKeyWITPYFASZLNKGF-UHFFFAOYSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene
CID 79597392
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
(4-chloronaphthalen-1-yl)-cyclobutylmethanol
CID 79597390
1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene
CID 79597680
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
(R)-cyclobutyl(naphthalen-1-yl)methanamine;hydrochloride
CID 171212042
cycloheptyl-(2-iodophenyl)methanamine
CID 105027819
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
cyclohexyl-(2-iodophenyl)methanamine
CID 112630996
(R)-cyclobutyl(phenanthren-9-yl)methanamine
CID 171212831

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-cyclohexylmethanamine?
The IUPAC name of (4-chloronaphthalen-1-yl)-cyclohexylmethanamine (CID 79596753) is (4-chloronaphthalen-1-yl)-cyclohexylmethanamine.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-cyclohexylmethanamine?
The canonical SMILES for (4-chloronaphthalen-1-yl)-cyclohexylmethanamine is NC(c1ccc(Cl)c2ccccc12)C1CCCCC1.
What is the InChIKey of (4-chloronaphthalen-1-yl)-cyclohexylmethanamine?
The InChIKey is WITPYFASZLNKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c18-16-11-10-15(13-8-4-5-9-14(13)16)17(19)12-6-2-1-3-7-12/h4-5,8-12,17H,1-3,6-7,19H2.
What are the key properties of (4-chloronaphthalen-1-yl)-cyclohexylmethanamine?
(4-chloronaphthalen-1-yl)-cyclohexylmethanamine has a molecular weight of 273.81 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl)-cyclohexylmethanamine is sourced from PubChem (CID 79596753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).