N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine

C17H26BrNO — CID 62515921

IUPACN-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
SMILESCC(C)OCCC(CNC1CC1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H26BrNO/c1-13(2)20-10-9-15(12-19-17-7-8-17)11-14-3-5-16(18)6-4-14/h3-6,13,15,17,19H,7-12H2,1-2H3
InChIKeyFJYPMZIMOWFPLG-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.17
Rot. Bonds9

About N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine

N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine (PubChem CID 62515921) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
PubChem CID62515921
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
SMILESCC(C)OCCC(CNC1CC1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H26BrNO/c1-13(2)20-10-9-15(12-19-17-7-8-17)11-14-3-5-16(18)6-4-14/h3-6,13,15,17,19H,7-12H2,1-2H3
InChIKeyFJYPMZIMOWFPLG-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62514332
N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine
CID 106930639
N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine
CID 104819277
N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine
CID 62516255
N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine
CID 107897175
N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 79448847
N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 62515917
N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
CID 82869744
N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412311
2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
CID 62514878
N-[2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 63523137
N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine
CID 82825959

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine (CID 62515921) is N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine is CC(C)OCCC(CNC1CC1)Cc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine?
The InChIKey is FJYPMZIMOWFPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-13(2)20-10-9-15(12-19-17-7-8-17)11-14-3-5-16(18)6-4-14/h3-6,13,15,17,19H,7-12H2,1-2H3.
What are the key properties of N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine?
N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine has a molecular weight of 340.31 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine is sourced from PubChem (CID 62515921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).