1-(3-bromo-4-methoxyphenyl)nonan-2-amine

C16H26BrNO — CID 115818004

IUPAC1-(3-bromo-4-methoxyphenyl)nonan-2-amine
SMILESCCCCCCCC(N)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C16H26BrNO/c1-3-4-5-6-7-8-14(18)11-13-9-10-16(19-2)15(17)12-13/h9-10,12,14H,3-8,11,18H2,1-2H3
InChIKeyMWXXYHPFKQCTHA-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.69
Rot. Bonds9

About 1-(3-bromo-4-methoxyphenyl)nonan-2-amine

1-(3-bromo-4-methoxyphenyl)nonan-2-amine (PubChem CID 115818004) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)nonan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)nonan-2-amine
PubChem CID115818004
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(3-bromo-4-methoxyphenyl)nonan-2-amine
SMILESCCCCCCCC(N)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C16H26BrNO/c1-3-4-5-6-7-8-14(18)11-13-9-10-16(19-2)15(17)12-13/h9-10,12,14H,3-8,11,18H2,1-2H3
InChIKeyMWXXYHPFKQCTHA-UHFFFAOYSA-N
XLogP4.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.69
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

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CID 115779355
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CID 62899973
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1-(3-bromo-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
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CID 115818090
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562
2-bromo-4-(1-bromodecyl)-1-methoxybenzene
CID 65426016
1-(3-bromo-4-methoxyphenyl)-3-ethoxybutan-2-amine
CID 64542009
1-(3-bromo-4-methoxyphenyl)-N-propan-2-ylhexan-2-amine
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1-(3-methoxyphenyl)dodecan-2-amine
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2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)nonan-2-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)nonan-2-amine (CID 115818004) is 1-(3-bromo-4-methoxyphenyl)nonan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)nonan-2-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)nonan-2-amine is CCCCCCCC(N)Cc1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)nonan-2-amine?
The InChIKey is MWXXYHPFKQCTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-3-4-5-6-7-8-14(18)11-13-9-10-16(19-2)15(17)12-13/h9-10,12,14H,3-8,11,18H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)nonan-2-amine?
1-(3-bromo-4-methoxyphenyl)nonan-2-amine has a molecular weight of 328.29 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)nonan-2-amine is sourced from PubChem (CID 115818004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).