N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine

C17H26BrN — CID 55220297

IUPACN-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine
SMILESCCCCCC(CNC1CC1)Cc1ccccc1Br
InChIInChI=1S/C17H26BrN/c1-2-3-4-7-14(13-19-16-10-11-16)12-15-8-5-6-9-17(15)18/h5-6,8-9,14,16,19H,2-4,7,10-13H2,1H3
InChIKeyGQYSYHPSILUMTM-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.94
Rot. Bonds9

About N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine

N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine (PubChem CID 55220297) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine
PubChem CID55220297
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine
SMILESCCCCCC(CNC1CC1)Cc1ccccc1Br
InChIInChI=1S/C17H26BrN/c1-2-3-4-7-14(13-19-16-10-11-16)12-15-8-5-6-9-17(15)18/h5-6,8-9,14,16,19H,2-4,7,10-13H2,1H3
InChIKeyGQYSYHPSILUMTM-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-bromophenyl)methyl]-4-butoxybutyl]cyclopropanamine
CID 62514411
N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63522844
2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine
CID 55221533
2-[(2-bromophenyl)methyl]-N-ethyldecan-1-amine
CID 63521420
N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 62528331
N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine
CID 104649264
N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63521924
N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053062
N-(2-ethyldodecyl)cyclopropanamine
CID 63521510
N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 62514412
N-[2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 63523137
2-[(2-bromophenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83168303

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine (CID 55220297) is N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine is CCCCCC(CNC1CC1)Cc1ccccc1Br.
What is the InChIKey of N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine?
The InChIKey is GQYSYHPSILUMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-2-3-4-7-14(13-19-16-10-11-16)12-15-8-5-6-9-17(15)18/h5-6,8-9,14,16,19H,2-4,7,10-13H2,1H3.
What are the key properties of N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine?
N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine has a molecular weight of 324.31 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine is sourced from PubChem (CID 55220297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).