N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine

C16H25BrN2 — CID 102769498

IUPACN-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCCCN(CC)Cc1ccc(CNC2CC2)cc1Br
InChIInChI=1S/C16H25BrN2/c1-3-9-19(4-2)12-14-6-5-13(10-16(14)17)11-18-15-7-8-15/h5-6,10,15,18H,3-4,7-9,11-12H2,1-2H3
InChIKeyNZFNGDITNIALFO-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.93
Rot. Bonds8

About N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine

N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 102769498) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID102769498
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCCCN(CC)Cc1ccc(CNC2CC2)cc1Br
InChIInChI=1S/C16H25BrN2/c1-3-9-19(4-2)12-14-6-5-13(10-16(14)17)11-18-15-7-8-15/h5-6,10,15,18H,3-4,7-9,11-12H2,1-2H3
InChIKeyNZFNGDITNIALFO-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421784
N-[[2-bromo-4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-ethylpropan-1-amine
CID 102769494
N'-[[2-bromo-4-[(cyclopropylamino)methyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 102771134
N-[[3-bromo-4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102771678
2-[[2-bromo-4-[(cyclopropylamino)methyl]phenyl]methyl-prop-2-enylamino]ethanol
CID 102771931
N-[[3-bromo-4-[[methyl(pent-4-enyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102771942
N-[[3-bromo-4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102770756
N-[[3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454527
N-[[3-bromo-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102769676
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine
CID 102771722
N'-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997500
N'-[[4-[(cyclopropylamino)methyl]phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997477

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 102769498) is N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine is CCCN(CC)Cc1ccc(CNC2CC2)cc1Br.
What is the InChIKey of N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is NZFNGDITNIALFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-9-19(4-2)12-14-6-5-13(10-16(14)17)11-18-15-7-8-15/h5-6,10,15,18H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 325.29 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 102769498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).