1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine

C15H18BrNO — CID 105055131

IUPAC1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H18BrNO/c1-18-8-2-3-15(17)13-5-4-12-10-14(16)7-6-11(12)9-13/h4-7,9-10,15H,2-3,8,17H2,1H3
InChIKeyZIRWTMCOCQNZSA-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.03
Rot. Bonds5

About 1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine

1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine (PubChem CID 105055131) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine
PubChem CID105055131
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H18BrNO/c1-18-8-2-3-15(17)13-5-4-12-10-14(16)7-6-11(12)9-13/h4-7,9-10,15H,2-3,8,17H2,1H3
InChIKeyZIRWTMCOCQNZSA-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine
CID 115821025
1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 104986238
1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine
CID 105013461
1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
CID 62600679
1-(4-chlorophenyl)-4-methoxybutan-1-amine
CID 62607559
4-methoxy-1-quinolin-6-ylbutan-1-amine
CID 78924718
1-(4-bromo-2-pyridinyl)-4-methoxybutan-1-amine
CID 68653251
4-methoxy-1-pyridin-4-ylbutan-1-amine
CID 115601661
1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine
CID 114519451
1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
CID 115354107
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
1-(4-bromophenyl)-4-methoxy-N-methylbutan-1-amine
CID 115601640

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine (CID 105055131) is 1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine is COCCCC(N)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine?
The InChIKey is ZIRWTMCOCQNZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-18-8-2-3-15(17)13-5-4-12-10-14(16)7-6-11(12)9-13/h4-7,9-10,15H,2-3,8,17H2,1H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine?
1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine is sourced from PubChem (CID 105055131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).