1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine

C14H23ClN2 — CID 115222505

IUPAC1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNC(C)(C)CN(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-14(2,16-3)11-17(4)10-9-12-5-7-13(15)8-6-12/h5-8,16H,9-11H2,1-4H3
InChIKeyNESXDENEHXBUBE-UHFFFAOYSA-N
MW254.80 g/mol
LogP2.81
Rot. Bonds6

About 1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine

1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115222505) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115222505
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNC(C)(C)CN(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H23ClN2/c1-14(2,16-3)11-17(4)10-9-12-5-7-13(15)8-6-12/h5-8,16H,9-11H2,1-4H3
InChIKeyNESXDENEHXBUBE-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 111122688
1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222522
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115263462
N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165826
2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258974
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222534
3-[2-(4-chlorophenyl)ethyl-methylamino]propanenitrile
CID 94259030
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554
1-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62836356
N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine
CID 115227284
1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 62848218
1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115121708

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115222505) is 1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine is CNC(C)(C)CN(C)CCc1ccc(Cl)cc1.
What is the InChIKey of 1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is NESXDENEHXBUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-14(2,16-3)11-17(4)10-9-12-5-7-13(15)8-6-12/h5-8,16H,9-11H2,1-4H3.
What are the key properties of 1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 254.80 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115222505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).