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

C17H24BrNO — CID 106930639

IUPACN-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine
SMILESBrc1ccc(CC(CNC2CC2)COCC2CC2)cc1
InChIInChI=1S/C17H24BrNO/c18-16-5-3-13(4-6-16)9-15(10-19-17-7-8-17)12-20-11-14-1-2-14/h3-6,14-15,17,19H,1-2,7-12H2
InChIKeyAKOBNUVMTYTTDJ-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.79
Rot. Bonds9

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

N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine (PubChem CID 106930639) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine
PubChem CID106930639
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine
SMILESBrc1ccc(CC(CNC2CC2)COCC2CC2)cc1
InChIInChI=1S/C17H24BrNO/c18-16-5-3-13(4-6-16)9-15(10-19-17-7-8-17)12-20-11-14-1-2-14/h3-6,14-15,17,19H,1-2,7-12H2
InChIKeyAKOBNUVMTYTTDJ-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol
CID 106931287
N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62515921
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 106930625
N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine
CID 104819277
N-[2-[(4-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
CID 82869744
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
N-[2-[(4-bromophenyl)methyl]-3-methylhexyl]cyclopropanamine
CID 107897175
N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine
CID 113361839
N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine
CID 43282937
N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine
CID 62531188
N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine
CID 62516255
2-benzyl-N'-cyclopropylpropane-1,3-diamine
CID 117241556

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine (CID 106930639) is N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine is Brc1ccc(CC(CNC2CC2)COCC2CC2)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine?
The InChIKey is AKOBNUVMTYTTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c18-16-5-3-13(4-6-16)9-15(10-19-17-7-8-17)12-20-11-14-1-2-14/h3-6,14-15,17,19H,1-2,7-12H2.
What are the key properties of N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine?
N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine has a molecular weight of 338.29 g/mol, XLogP of 3.79, 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]-3-(cyclopropylmethoxy)propyl]cyclopropanamine is sourced from PubChem (CID 106930639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).