1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine

C13H21ClN2 — CID 84752651

IUPAC1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine
SMILESCCN(CC)C(C)(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2/c1-4-16(5-2)13(3,15)10-11-6-8-12(14)9-7-11/h6-9H,4-5,10,15H2,1-3H3
InChIKeyJDNJTRQNBAMFIL-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.90
Rot. Bonds5

About 1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine

1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine (PubChem CID 84752651) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine
PubChem CID84752651
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine
SMILESCCN(CC)C(C)(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2/c1-4-16(5-2)13(3,15)10-11-6-8-12(14)9-7-11/h6-9H,4-5,10,15H2,1-3H3
InChIKeyJDNJTRQNBAMFIL-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine
CID 84752655
3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752089
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile
CID 82076008
1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
CID 114996120
N,N-dibutyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
CID 139644714
2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine
CID 169436210
1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine
CID 84747739
1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
CID 79054221
1-chloro-4-[2-(chloromethyl)-2-methylbutyl]benzene
CID 66036089
3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84721389
(2S)-2-amino-2-[(4-chlorophenyl)methyl]butanoic acid
CID 70178443

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine (CID 84752651) is 1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine is CCN(CC)C(C)(N)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine?
The InChIKey is JDNJTRQNBAMFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-4-16(5-2)13(3,15)10-11-6-8-12(14)9-7-11/h6-9H,4-5,10,15H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine?
1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine has a molecular weight of 240.78 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine is sourced from PubChem (CID 84752651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).