N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine

C16H22BrN — CID 83160159

IUPACN-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)(Cc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C16H22BrN/c1-16(13-4-5-13,11-18-15-8-9-15)10-12-2-6-14(17)7-3-12/h2-3,6-7,13,15,18H,4-5,8-11H2,1H3
InChIKeyKSSNHEXZKATAGB-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.16
Rot. Bonds6

About N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine

N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine (PubChem CID 83160159) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
PubChem CID83160159
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC NameN-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)(Cc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C16H22BrN/c1-16(13-4-5-13,11-18-15-8-9-15)10-12-2-6-14(17)7-3-12/h2-3,6-7,13,15,18H,4-5,8-11H2,1H3
InChIKeyKSSNHEXZKATAGB-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83149125
N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 83160248
N-[3-(3-bromo-2,6-difluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 106271813
N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83159794
N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine
CID 83159341
N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 102859235
2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine
CID 83160155
4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol
CID 83159515
N-(2-cyclopropyl-2-methyl-5-phenylpentyl)cyclopropanamine
CID 83160152
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine (CID 83160159) is N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)(Cc1ccc(Br)cc1)C1CC1.
What is the InChIKey of N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
The InChIKey is KSSNHEXZKATAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c1-16(13-4-5-13,11-18-15-8-9-15)10-12-2-6-14(17)7-3-12/h2-3,6-7,13,15,18H,4-5,8-11H2,1H3.
What are the key properties of N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine?
N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine has a molecular weight of 308.26 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 83160159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).