4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine

C14H21BrClN3 — CID 107619601

IUPAC4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(CN)(Nc2ccc(Br)c(Cl)c2)CCN1C
InChIInChI=1S/C14H21BrClN3/c1-10-8-14(9-17,5-6-19(10)2)18-11-3-4-12(15)13(16)7-11/h3-4,7,10,18H,5-6,8-9,17H2,1-2H3
InChIKeyJTBQRSSMRSVDIY-UHFFFAOYSA-N
MW346.70 g/mol
LogP3.33
Rot. Bonds3

About 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine

4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine (PubChem CID 107619601) has the molecular formula C14H21BrClN3 and a molecular weight of 346.70 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine
PubChem CID107619601
Molecular FormulaC14H21BrClN3
Molecular Weight346.70 g/mol
Exact Mass345.06
IUPAC Name4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(CN)(Nc2ccc(Br)c(Cl)c2)CCN1C
InChIInChI=1S/C14H21BrClN3/c1-10-8-14(9-17,5-6-19(10)2)18-11-3-4-12(15)13(16)7-11/h3-4,7,10,18H,5-6,8-9,17H2,1-2H3
InChIKeyJTBQRSSMRSVDIY-UHFFFAOYSA-N
XLogP3.33
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81467389
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyloxan-4-amine
CID 107619654
3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)thiolan-3-amine
CID 107619641
7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine
CID 104721739
N-[1-(aminomethyl)-2,4,4-trimethylcyclohexyl]-4-bromo-3-chloroaniline
CID 107619544
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine
CID 107619534
3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81468300
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine
CID 104721790
N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline
CID 104721710
3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 107619476
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloro-4-methylaniline
CID 104721776
N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
CID 65385077

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine (CID 107619601) is 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine is CC1CC(CN)(Nc2ccc(Br)c(Cl)c2)CCN1C.
What is the InChIKey of 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine?
The InChIKey is JTBQRSSMRSVDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN3/c1-10-8-14(9-17,5-6-19(10)2)18-11-3-4-12(15)13(16)7-11/h3-4,7,10,18H,5-6,8-9,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine?
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine has a molecular weight of 346.70 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 107619601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).