N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine

C16H16BrNO — CID 43282937

IUPACN-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine
SMILESBrc1ccc(Oc2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C16H16BrNO/c17-13-3-9-16(10-4-13)19-15-7-1-12(2-8-15)11-18-14-5-6-14/h1-4,7-10,14,18H,5-6,11H2
InChIKeyDCRPMZVFPKONPN-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.49
Rot. Bonds5

About N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine

N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43282937) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine
PubChem CID43282937
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine
SMILESBrc1ccc(Oc2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C16H16BrNO/c17-13-3-9-16(10-4-13)19-15-7-1-12(2-8-15)11-18-14-5-6-14/h1-4,7-10,14,18H,5-6,11H2
InChIKeyDCRPMZVFPKONPN-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-bromophenoxy)-3-chlorophenyl]methyl]cyclopropanamine
CID 81155198
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
N-[[4-(3,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283085
N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 55240005
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122665
N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
CID 90423096
N-[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl]cyclopropanamine
CID 43282414
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283027
N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755336

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine (CID 43282937) is N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine is Brc1ccc(Oc2ccc(CNC3CC3)cc2)cc1.
What is the InChIKey of N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is DCRPMZVFPKONPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-13-3-9-16(10-4-13)19-15-7-1-12(2-8-15)11-18-14-5-6-14/h1-4,7-10,14,18H,5-6,11H2.
What are the key properties of N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine?
N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 318.21 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43282937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).