N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine

C17H26BrN — CID 107897175

IUPACN-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine
SMILESCCCC(C)C(CNC1CC1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H26BrN/c1-3-4-13(2)15(12-19-17-9-10-17)11-14-5-7-16(18)8-6-14/h5-8,13,15,17,19H,3-4,9-12H2,1-2H3
InChIKeyKYRFHZJCXLIUSI-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.80
Rot. Bonds8

About N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine

N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine (PubChem CID 107897175) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine
PubChem CID107897175
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine
SMILESCCCC(C)C(CNC1CC1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H26BrN/c1-3-4-13(2)15(12-19-17-9-10-17)11-14-5-7-16(18)8-6-14/h5-8,13,15,17,19H,3-4,9-12H2,1-2H3
InChIKeyKYRFHZJCXLIUSI-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromophenyl)methyl]-N,3-dimethylhexan-1-amine
CID 114013874
2-[(4-bromophenyl)methyl]-3-methyl-N-propylhexan-1-amine
CID 107897173
N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62515921
N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine
CID 104819277
N-[2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 63523137
N-[4-methyl-2-[(4-methylphenyl)methyl]heptyl]cyclopropanamine
CID 63522593
N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 113471444
N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
CID 62106930
N-(2-benzyl-4-methylheptyl)cyclopropanamine
CID 55196781
N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine
CID 106930639
N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine
CID 82825959
N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
CID 82869744

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine (CID 107897175) is N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine is CCCC(C)C(CNC1CC1)Cc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine?
The InChIKey is KYRFHZJCXLIUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-3-4-13(2)15(12-19-17-9-10-17)11-14-5-7-16(18)8-6-14/h5-8,13,15,17,19H,3-4,9-12H2,1-2H3.
What are the key properties of N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine?
N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine has a molecular weight of 324.31 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine is sourced from PubChem (CID 107897175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).