N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine

C14H23ClN2 — CID 82042176

IUPACN-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine
SMILESCCN(C(CN)c1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C14H23ClN2/c1-5-17(14(2,3)4)13(10-16)11-8-6-7-9-12(11)15/h6-9,13H,5,10,16H2,1-4H3
InChIKeyDJOBFIPPTDGHQV-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.46
Rot. Bonds4

About N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine

N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine (PubChem CID 82042176) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine
PubChem CID82042176
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine
SMILESCCN(C(CN)c1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C14H23ClN2/c1-5-17(14(2,3)4)13(10-16)11-8-6-7-9-12(11)15/h6-9,13H,5,10,16H2,1-4H3
InChIKeyDJOBFIPPTDGHQV-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-amino-1-(2-chlorophenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187856
3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol
CID 113468616
3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propanenitrile
CID 55022708
1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol
CID 62333644
1-(2-chlorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657428
1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
CID 43180386
1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63980732
5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol
CID 107198381
2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478830
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
CID 79061666
3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine
CID 82080937

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine (CID 82042176) is N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine is CCN(C(CN)c1ccccc1Cl)C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine?
The InChIKey is DJOBFIPPTDGHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-5-17(14(2,3)4)13(10-16)11-8-6-7-9-12(11)15/h6-9,13H,5,10,16H2,1-4H3.
What are the key properties of N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine?
N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2-chlorophenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 82042176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).