1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine

C13H21ClN2 — CID 116949961

IUPAC1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCNC(c1ccc(Cl)cc1)C(C)(C)CCN
InChIInChI=1S/C13H21ClN2/c1-13(2,8-9-15)12(16-3)10-4-6-11(14)7-5-10/h4-7,12,16H,8-9,15H2,1-3H3
InChIKeyYCGHYSLVDOGZIF-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.98
Rot. Bonds5

About 1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine

1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine (PubChem CID 116949961) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine
PubChem CID116949961
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCNC(c1ccc(Cl)cc1)C(C)(C)CCN
InChIInChI=1S/C13H21ClN2/c1-13(2,8-9-15)12(16-3)10-4-6-11(14)7-5-10/h4-7,12,16H,8-9,15H2,1-3H3
InChIKeyYCGHYSLVDOGZIF-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
CID 116948977
1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79056752
1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949072
1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116950034
N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116950035
1,2-bis[1-(4-chlorophenyl)-2,2-dimethylpropyl]hydrazine
CID 13095453
1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116950044
1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane
CID 172614909
(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 93063130
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
CID 114285473
1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
CID 83817763
1-(4-chlorophenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934580

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine (CID 116949961) is 1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine is CNC(c1ccc(Cl)cc1)C(C)(C)CCN.
What is the InChIKey of 1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine?
The InChIKey is YCGHYSLVDOGZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-13(2,8-9-15)12(16-3)10-4-6-11(14)7-5-10/h4-7,12,16H,8-9,15H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine?
1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine has a molecular weight of 240.78 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 116949961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).