N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine

C12H16BrN — CID 30081048

IUPACN-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
SMILESCC[C@@H](NC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrN/c1-2-12(14-11-7-8-11)9-3-5-10(13)6-4-9/h3-6,11-12,14H,2,7-8H2,1H3/t12-/m1/s1
InChIKeyBXXKISRNSWZPIZ-GFCCVEGCSA-N
MW254.17 g/mol
LogP3.65
Rot. Bonds4

About N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine

N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine (PubChem CID 30081048) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
PubChem CID30081048
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC NameN-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
SMILESCC[C@@H](NC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrN/c1-2-12(14-11-7-8-11)9-3-5-10(13)6-4-9/h3-6,11-12,14H,2,7-8H2,1H3/t12-/m1/s1
InChIKeyBXXKISRNSWZPIZ-GFCCVEGCSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine
CID 43223922
N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine
CID 114122786
N-[1-(4-bromophenyl)propyl]-3-methoxycyclopentan-1-amine
CID 103080693
N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine
CID 80705179
N-[1-(4-bromophenyl)propyl]thian-3-amine
CID 62872897
N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine
CID 63431802
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
N-[1-(4-chlorophenyl)propyl]cycloheptanamine
CID 43109081
4-ethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 55194080
4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol
CID 43761707
N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223945

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine (CID 30081048) is N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine is CC[C@@H](NC1CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine?
The InChIKey is BXXKISRNSWZPIZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16BrN/c1-2-12(14-11-7-8-11)9-3-5-10(13)6-4-9/h3-6,11-12,14H,2,7-8H2,1H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine?
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine has a molecular weight of 254.17 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine is sourced from PubChem (CID 30081048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).