1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine

C18H24BrN — CID 115833804

IUPAC1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H24BrN/c1-3-4-5-6-7-18(20-2)16-9-8-15-13-17(19)11-10-14(15)12-16/h8-13,18,20H,3-7H2,1-2H3
InChIKeyDWBQXHGGSPSMBM-UHFFFAOYSA-N
MW334.30 g/mol
LogP5.83
Rot. Bonds7

About 1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine

1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine (PubChem CID 115833804) has the molecular formula C18H24BrN and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine
PubChem CID115833804
Molecular FormulaC18H24BrN
Molecular Weight334.30 g/mol
Exact Mass333.11
IUPAC Name1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H24BrN/c1-3-4-5-6-7-18(20-2)16-9-8-15-13-17(19)11-10-14(15)12-16/h8-13,18,20H,3-7H2,1-2H3
InChIKeyDWBQXHGGSPSMBM-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.30
LogP ≤ 55.83
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-methyl-1-naphthalen-2-ylhexan-1-amine
CID 63416228
1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine
CID 115832663
1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine
CID 115837445
1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine
CID 79746685
1-(3-bromo-4-chlorophenyl)-N-methylhexan-1-amine
CID 115567316
1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine
CID 115831324
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine
CID 115833849
1-(3,4-diethylphenyl)-N-methylnonan-1-amine
CID 115482264
1-(5-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115846020
1-(4-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115845773
1-(3-bromo-5-methylphenyl)-N-methylheptan-1-amine
CID 115833289

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine (CID 115833804) is 1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine is CCCCCCC(NC)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine?
The InChIKey is DWBQXHGGSPSMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN/c1-3-4-5-6-7-18(20-2)16-9-8-15-13-17(19)11-10-14(15)12-16/h8-13,18,20H,3-7H2,1-2H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine?
1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine has a molecular weight of 334.30 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine is sourced from PubChem (CID 115833804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).