N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

C17H25BrN2 — CID 79715077

IUPACN-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCC(c1ccccc1Br)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C17H25BrN2/c1-13(16-4-2-3-5-17(16)18)20(15-6-7-15)12-14-8-10-19-11-9-14/h2-5,13-15,19H,6-12H2,1H3
InChIKeyCWRUYOLPPUMCJZ-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.97
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 79715077) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID79715077
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC NameN-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCC(c1ccccc1Br)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C17H25BrN2/c1-13(16-4-2-3-5-17(16)18)20(15-6-7-15)12-14-8-10-19-11-9-14/h2-5,13-15,19H,6-12H2,1H3
InChIKeyCWRUYOLPPUMCJZ-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111922
2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid
CID 65057476
N-[1-(5-methylfuran-2-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79716089
(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81383485
5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 107707670
N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637762
2-[1-(2-bromophenyl)ethyl-cyclopentylamino]acetic acid
CID 65058930
N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715152
4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol
CID 115496134
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
CID 119932017
2-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]phenol
CID 79715840
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621969

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 79715077) is N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is CC(c1ccccc1Br)N(CC1CCNCC1)C1CC1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is CWRUYOLPPUMCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-13(16-4-2-3-5-17(16)18)20(15-6-7-15)12-14-8-10-19-11-9-14/h2-5,13-15,19H,6-12H2,1H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 337.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 79715077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).