3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine

C14H20BrN — CID 83149125

IUPAC3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(Cc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C14H20BrN/c1-14(10-16-2,12-5-6-12)9-11-3-7-13(15)8-4-11/h3-4,7-8,12,16H,5-6,9-10H2,1-2H3
InChIKeyKVXHZFWBQSTWHH-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.63
Rot. Bonds5

About 3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine

3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine (PubChem CID 83149125) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
PubChem CID83149125
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(Cc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C14H20BrN/c1-14(10-16-2,12-5-6-12)9-11-3-7-13(15)8-4-11/h3-4,7-8,12,16H,5-6,9-10H2,1-2H3
InChIKeyKVXHZFWBQSTWHH-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83160159
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83148633
2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83148242
4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol
CID 83159515
2-[(4-bromophenyl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640528
3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159897
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 83160456
3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83148247
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83150803
2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 83147897
3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine
CID 83159708

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine (CID 83149125) is 3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine is CNCC(C)(Cc1ccc(Br)cc1)C1CC1.
What is the InChIKey of 3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine?
The InChIKey is KVXHZFWBQSTWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-14(10-16-2,12-5-6-12)9-11-3-7-13(15)8-4-11/h3-4,7-8,12,16H,5-6,9-10H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine?
3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 83149125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).