N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine

C15H22BrClN2 — CID 107082125

IUPACN-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(Cl)cc2CBr)CC1
InChIInChI=1S/C15H22BrClN2/c1-3-19-8-6-14(7-9-19)18(2)15-5-4-13(17)10-12(15)11-16/h4-5,10,14H,3,6-9,11H2,1-2H3
InChIKeyNEOLXLNSKMOGGJ-UHFFFAOYSA-N
MW345.71 g/mol
LogP4.16
Rot. Bonds4

About N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine

N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 107082125) has the molecular formula C15H22BrClN2 and a molecular weight of 345.71 g/mol. Its IUPAC name is N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID107082125
Molecular FormulaC15H22BrClN2
Molecular Weight345.71 g/mol
Exact Mass344.07
IUPAC NameN-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(Cl)cc2CBr)CC1
InChIInChI=1S/C15H22BrClN2/c1-3-19-8-6-14(7-9-19)18(2)15-5-4-13(17)10-12(15)11-16/h4-5,10,14H,3,6-9,11H2,1-2H3
InChIKeyNEOLXLNSKMOGGJ-UHFFFAOYSA-N
XLogP4.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114861329
N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114850104
N-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 114847469
5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 62494113
[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 114845156
2-(aminomethyl)-4-chloro-N-cyclopropyl-N-methylaniline
CID 62493641
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
[2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol
CID 55004619
N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 81159630
N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 107082122
1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 55004013
1-N-(1-ethylpiperidin-4-yl)-2-iodo-1-N-methylbenzene-1,4-diamine
CID 66093142

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine (CID 107082125) is N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)c2ccc(Cl)cc2CBr)CC1.
What is the InChIKey of N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is NEOLXLNSKMOGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2/c1-3-19-8-6-14(7-9-19)18(2)15-5-4-13(17)10-12(15)11-16/h4-5,10,14H,3,6-9,11H2,1-2H3.
What are the key properties of N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 345.71 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 107082125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).