N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine

C15H22Cl2N2 — CID 114067765

IUPACN-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2c(Cl)cccc2CCl)CC1
InChIInChI=1S/C15H22Cl2N2/c1-3-19-9-7-13(8-10-19)18(2)15-12(11-16)5-4-6-14(15)17/h4-6,13H,3,7-11H2,1-2H3
InChIKeyULILABLBVIGMKR-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.00
Rot. Bonds4

About N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine

N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 114067765) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID114067765
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2c(Cl)cccc2CCl)CC1
InChIInChI=1S/C15H22Cl2N2/c1-3-19-9-7-13(8-10-19)18(2)15-12(11-16)5-4-6-14(15)17/h4-6,13H,3,7-11H2,1-2H3
InChIKeyULILABLBVIGMKR-UHFFFAOYSA-N
XLogP4.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-cyclopropyl-N-methylaniline
CID 54252168
2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde
CID 55004174
2-(bromomethyl)-6-chloro-N-(4,4-dimethylcyclohexyl)-N-methylaniline
CID 114067889
N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 107082125
3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine
CID 55004205
(3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine
CID 100839078
4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine
CID 107055363
2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine
CID 55002534
2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline
CID 65469902
N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 81159630
2-N-ethyl-6-N-(1-ethylpiperidin-4-yl)-6-N-methylpyridine-2,6-diamine
CID 80820475
3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine
CID 63402926

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine (CID 114067765) is N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)c2c(Cl)cccc2CCl)CC1.
What is the InChIKey of N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is ULILABLBVIGMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-3-19-9-7-13(8-10-19)18(2)15-12(11-16)5-4-6-14(15)17/h4-6,13H,3,7-11H2,1-2H3.
What are the key properties of N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 301.26 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 114067765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).