N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine

C18H29BrN2 — CID 102771592

IUPACN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine
SMILESCC(C)CCN(Cc1ccc(CN)cc1Br)C1CCCC1
InChIInChI=1S/C18H29BrN2/c1-14(2)9-10-21(17-5-3-4-6-17)13-16-8-7-15(12-20)11-18(16)19/h7-8,11,14,17H,3-6,9-10,12-13,20H2,1-2H3
InChIKeyJWQLLHLPSFKVQI-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.70
Rot. Bonds7

About N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine

N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine (PubChem CID 102771592) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine
PubChem CID102771592
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC NameN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine
SMILESCC(C)CCN(Cc1ccc(CN)cc1Br)C1CCCC1
InChIInChI=1S/C18H29BrN2/c1-14(2)9-10-21(17-5-3-4-6-17)13-16-8-7-15(12-20)11-18(16)19/h7-8,11,14,17H,3-6,9-10,12-13,20H2,1-2H3
InChIKeyJWQLLHLPSFKVQI-UHFFFAOYSA-N
XLogP4.70
TPSA29.26 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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine
CID 102771582
N-[[2-bromo-4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 102770233
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 79000673
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 102768407
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107878305
4-[[cyclopentyl(3-methylbutyl)amino]methyl]benzonitrile
CID 78983163
3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860571
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine
CID 102769820
2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide
CID 114478704
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
4-chloro-3-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 78973855
N-[[2-bromo-4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 102771970

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine?
The IUPAC name of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine (CID 102771592) is N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine?
The canonical SMILES for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine is CC(C)CCN(Cc1ccc(CN)cc1Br)C1CCCC1.
What is the InChIKey of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine?
The InChIKey is JWQLLHLPSFKVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-14(2)9-10-21(17-5-3-4-6-17)13-16-8-7-15(12-20)11-18(16)19/h7-8,11,14,17H,3-6,9-10,12-13,20H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine?
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine has a molecular weight of 353.35 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine is sourced from PubChem (CID 102771592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).