N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine

C15H20BrN — CID 62595905

IUPACN-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine
SMILESBrc1cccc(C2(CNC3CC3)CCCC2)c1
InChIInChI=1S/C15H20BrN/c16-13-5-3-4-12(10-13)15(8-1-2-9-15)11-17-14-6-7-14/h3-5,10,14,17H,1-2,6-9,11H2
InChIKeyHGQQJWLNGQJCFR-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.01
Rot. Bonds4

About N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine

N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 62595905) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID62595905
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC NameN-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine
SMILESBrc1cccc(C2(CNC3CC3)CCCC2)c1
InChIInChI=1S/C15H20BrN/c16-13-5-3-4-12(10-13)15(8-1-2-9-15)11-17-14-6-7-14/h3-5,10,14,17H,1-2,6-9,11H2
InChIKeyHGQQJWLNGQJCFR-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[1-(3-bromophenyl)cyclobutyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030570
N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009612
1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine
CID 63512242
N-[[1-(3-methoxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 62594616
N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine
CID 62829692
4-[[1-(3-methylphenyl)cyclohexyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030435
N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65002883
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclopropanamine
CID 62594065
O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine
CID 83693924
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(cyclopropylmethylamino)acetamide
CID 119744818
(3R)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]oxolan-3-amine
CID 125448466
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexyl]methyl]cyclopropanamine
CID 62596832

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine (CID 62595905) is N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine is Brc1cccc(C2(CNC3CC3)CCCC2)c1.
What is the InChIKey of N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is HGQQJWLNGQJCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c16-13-5-3-4-12(10-13)15(8-1-2-9-15)11-17-14-6-7-14/h3-5,10,14,17H,1-2,6-9,11H2.
What are the key properties of N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine?
N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 294.24 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 62595905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).