1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine

C18H24ClN — CID 79596816

IUPAC1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H24ClN/c1-4-11-20-18(12-13(2)3)16-9-10-17(19)15-8-6-5-7-14(15)16/h5-10,13,18,20H,4,11-12H2,1-3H3
InChIKeySKGKKASQGJYUTD-UHFFFAOYSA-N
MW289.85 g/mol
LogP5.58
Rot. Bonds6

About 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine

1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine (PubChem CID 79596816) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
PubChem CID79596816
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC Name1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H24ClN/c1-4-11-20-18(12-13(2)3)16-9-10-17(19)15-8-6-5-7-14(15)16/h5-10,13,18,20H,4,11-12H2,1-3H3
InChIKeySKGKKASQGJYUTD-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.85
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine
CID 114874516
3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 55188123
1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 43494411
N-[1-(4-chloronaphthalen-1-yl)-2-methylsulfonylethyl]propan-1-amine
CID 79591684
1-chloro-4-(1-chloro-3-methylbutyl)naphthalene
CID 79596838
1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine
CID 63939204
1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine
CID 79597096
1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine
CID 79591637
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
CID 107944978
1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 43496303

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine (CID 79596816) is 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)C)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is SKGKKASQGJYUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN/c1-4-11-20-18(12-13(2)3)16-9-10-17(19)15-8-6-5-7-14(15)16/h5-10,13,18,20H,4,11-12H2,1-3H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine?
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 289.85 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 79596816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).