N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine

C18H29BrN2 — CID 102771582

IUPACN-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine
SMILESCNCc1ccc(CN(CC(C)C)C2CCCC2)c(Br)c1
InChIInChI=1S/C18H29BrN2/c1-14(2)12-21(17-6-4-5-7-17)13-16-9-8-15(11-20-3)10-18(16)19/h8-10,14,17,20H,4-7,11-13H2,1-3H3
InChIKeySHACOMDOFQGLBK-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.57
Rot. Bonds7

About N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine

N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine (PubChem CID 102771582) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine.

Molecular Properties

Compound NameN-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine
PubChem CID102771582
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC NameN-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine
SMILESCNCc1ccc(CN(CC(C)C)C2CCCC2)c(Br)c1
InChIInChI=1S/C18H29BrN2/c1-14(2)12-21(17-6-4-5-7-17)13-16-9-8-15(11-20-3)10-18(16)19/h8-10,14,17,20H,4-7,11-13H2,1-3H3
InChIKeySHACOMDOFQGLBK-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-bromo-4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 102770233
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine
CID 102771592
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 102770674
N-[[2-bromo-4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 102771970
methyl 3-bromo-4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoate
CID 102767376
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107453606
2-bromo-N-cyclopentyl-N-ethyl-4-(methylaminomethyl)aniline
CID 114062715
N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine
CID 102769560
1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine
CID 106206004
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 102769896
N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 60733586
N-[[3-bromo-4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 102770757

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine?
The IUPAC name of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine (CID 102771582) is N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine.
What is the SMILES notation for N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine?
The canonical SMILES for N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine is CNCc1ccc(CN(CC(C)C)C2CCCC2)c(Br)c1.
What is the InChIKey of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine?
The InChIKey is SHACOMDOFQGLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-14(2)12-21(17-6-4-5-7-17)13-16-9-8-15(11-20-3)10-18(16)19/h8-10,14,17,20H,4-7,11-13H2,1-3H3.
What are the key properties of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine?
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine has a molecular weight of 353.35 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine is sourced from PubChem (CID 102771582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).