2-(4-bromophenyl)-4-methoxybutan-1-amine

C11H16BrNO — CID 79441671

IUPAC2-(4-bromophenyl)-4-methoxybutan-1-amine
SMILESCOCCC(CN)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-14-7-6-10(8-13)9-2-4-11(12)5-3-9/h2-5,10H,6-8,13H2,1H3
InChIKeyQKYKMHRIAJHUCK-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.53
Rot. Bonds5

About 2-(4-bromophenyl)-4-methoxybutan-1-amine

2-(4-bromophenyl)-4-methoxybutan-1-amine (PubChem CID 79441671) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-methoxybutan-1-amine
PubChem CID79441671
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(4-bromophenyl)-4-methoxybutan-1-amine
SMILESCOCCC(CN)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-14-7-6-10(8-13)9-2-4-11(12)5-3-9/h2-5,10H,6-8,13H2,1H3
InChIKeyQKYKMHRIAJHUCK-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 79429853
2-(4-bromophenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79441826
1-bromo-4-(1-bromo-6-methoxyhexan-2-yl)benzene
CID 104650728
2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine
CID 62529185
2-(3-bromophenyl)-5-methoxypentan-1-amine
CID 79442544
2-(4-bromophenyl)-6-methoxyhexan-1-ol
CID 104650630
2-(3-chlorophenyl)-4-methoxybutan-1-amine
CID 79443641
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
2-(4-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
CID 79431613
ethyl 2-(4-bromophenyl)-4-methoxybutanoate
CID 143958624
(2R)-4-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-amine
CID 129409511
1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948358

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-methoxybutan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-4-methoxybutan-1-amine (CID 79441671) is 2-(4-bromophenyl)-4-methoxybutan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-4-methoxybutan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-4-methoxybutan-1-amine is COCCC(CN)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-methoxybutan-1-amine?
The InChIKey is QKYKMHRIAJHUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-14-7-6-10(8-13)9-2-4-11(12)5-3-9/h2-5,10H,6-8,13H2,1H3.
What are the key properties of 2-(4-bromophenyl)-4-methoxybutan-1-amine?
2-(4-bromophenyl)-4-methoxybutan-1-amine has a molecular weight of 258.16 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-methoxybutan-1-amine is sourced from PubChem (CID 79441671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).