N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine

C14H24ClN3 — CID 81165775

IUPACN'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCC(N)Cc1ccc(N(C)CCN(C)C)c(Cl)c1
InChIInChI=1S/C14H24ClN3/c1-11(16)9-12-5-6-14(13(15)10-12)18(4)8-7-17(2)3/h5-6,10-11H,7-9,16H2,1-4H3
InChIKeyQUGAEJAARKSHHN-UHFFFAOYSA-N
MW269.82 g/mol
LogP2.23
Rot. Bonds6

About N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 81165775) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID81165775
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC NameN'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCC(N)Cc1ccc(N(C)CCN(C)C)c(Cl)c1
InChIInChI=1S/C14H24ClN3/c1-11(16)9-12-5-6-14(13(15)10-12)18(4)8-7-17(2)3/h5-6,10-11H,7-9,16H2,1-4H3
InChIKeyQUGAEJAARKSHHN-UHFFFAOYSA-N
XLogP2.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114063003
N'-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 78948201
4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 81165921
4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 81165610
4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165839
4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166314
4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline
CID 81165870
4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 81166065
4-(2-aminopropyl)-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 81159811
2-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)aniline
CID 81151535
4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 81165724
N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 81159630

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine (CID 81165775) is N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine is CC(N)Cc1ccc(N(C)CCN(C)C)c(Cl)c1.
What is the InChIKey of N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is QUGAEJAARKSHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-11(16)9-12-5-6-14(13(15)10-12)18(4)8-7-17(2)3/h5-6,10-11H,7-9,16H2,1-4H3.
What are the key properties of N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 269.82 g/mol, XLogP of 2.23, 6 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]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 81165775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).