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

C17H28ClN3 — CID 81159630

IUPACN-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(CC(C)N)cc2Cl)CC1
InChIInChI=1S/C17H28ClN3/c1-4-21-9-7-15(8-10-21)20(3)17-6-5-14(11-13(2)19)12-16(17)18/h5-6,12-13,15H,4,7-11,19H2,1-3H3
InChIKeyIWLIBJLHJKRGJP-UHFFFAOYSA-N
MW309.89 g/mol
LogP3.15
Rot. Bonds5

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

N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 81159630) has the molecular formula C17H28ClN3 and a molecular weight of 309.89 g/mol. Its IUPAC name is N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID81159630
Molecular FormulaC17H28ClN3
Molecular Weight309.89 g/mol
Exact Mass309.20
IUPAC NameN-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(CC(C)N)cc2Cl)CC1
InChIInChI=1S/C17H28ClN3/c1-4-21-9-7-15(8-10-21)20(3)17-6-5-14(11-13(2)19)12-16(17)18/h5-6,12-13,15H,4,7-11,19H2,1-3H3
InChIKeyIWLIBJLHJKRGJP-UHFFFAOYSA-N
XLogP3.15
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 81166154
4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline
CID 81165762
N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114861329
4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
CID 63786126
N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 107082125
4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165839
4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 81165921
4-(2-aminopropyl)-N-(4-ethylcyclohexyl)-N,2-dimethylaniline
CID 63816201
N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81165775
N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114850104
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-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine (CID 81159630) is N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)c2ccc(CC(C)N)cc2Cl)CC1.
What is the InChIKey of N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is IWLIBJLHJKRGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-4-21-9-7-15(8-10-21)20(3)17-6-5-14(11-13(2)19)12-16(17)18/h5-6,12-13,15H,4,7-11,19H2,1-3H3.
What are the key properties of N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 309.89 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 81159630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).