1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine

C12H18BrNO — CID 61064259

IUPAC1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
SMILESCNC(CCOC)Cc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-14-12(7-8-15-2)9-10-3-5-11(13)6-4-10/h3-6,12,14H,7-9H2,1-2H3
InChIKeyISIPVFABLPRADX-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.62
Rot. Bonds6

About 1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine

1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine (PubChem CID 61064259) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
PubChem CID61064259
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
SMILESCNC(CCOC)Cc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-14-12(7-8-15-2)9-10-3-5-11(13)6-4-10/h3-6,12,14H,7-9H2,1-2H3
InChIKeyISIPVFABLPRADX-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105089113
2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
CID 62514878
4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346323
5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 62603606
2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine
CID 62529185
5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 65092154
1-(4-bromophenyl)-N-methylpent-4-en-2-amine
CID 61380777
4-methoxy-N-methyl-1-pyridin-3-ylbutan-2-amine
CID 115601894
1-(4-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234248
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
CID 62602616
1-(4-bromophenyl)-5-methoxypentan-2-ol
CID 62608729

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine (CID 61064259) is 1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine is CNC(CCOC)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine?
The InChIKey is ISIPVFABLPRADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-14-12(7-8-15-2)9-10-3-5-11(13)6-4-10/h3-6,12,14H,7-9H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine?
1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine has a molecular weight of 272.19 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine is sourced from PubChem (CID 61064259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).