1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine

C15H23ClN2 — CID 114075596

IUPAC1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
SMILESCc1cc(Cl)ccc1C(CN)NCCC1CCC1
InChIInChI=1S/C15H23ClN2/c1-11-9-13(16)5-6-14(11)15(10-17)18-8-7-12-3-2-4-12/h5-6,9,12,15,18H,2-4,7-8,10,17H2,1H3
InChIKeyTVGKKZFIQQEGQW-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.43
Rot. Bonds6

About 1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine

1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine (PubChem CID 114075596) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
PubChem CID114075596
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
SMILESCc1cc(Cl)ccc1C(CN)NCCC1CCC1
InChIInChI=1S/C15H23ClN2/c1-11-9-13(16)5-6-14(11)15(10-17)18-8-7-12-3-2-4-12/h5-6,9,12,15,18H,2-4,7-8,10,17H2,1H3
InChIKeyTVGKKZFIQQEGQW-UHFFFAOYSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 113478717
N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 113478720
1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
CID 114076857
2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine
CID 83824559
N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine
CID 65384182
1-(3-bromophenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
CID 113478752
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65383338
1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515230
(1S)-1-(4-chloro-2-methylphenyl)-2-cyclopropylethanamine
CID 131029260
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
1-(5-chloroquinolin-8-yl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
CID 115959558

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine (CID 114075596) is 1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine is Cc1cc(Cl)ccc1C(CN)NCCC1CCC1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine?
The InChIKey is TVGKKZFIQQEGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-9-13(16)5-6-14(11)15(10-17)18-8-7-12-3-2-4-12/h5-6,9,12,15,18H,2-4,7-8,10,17H2,1H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine?
1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine has a molecular weight of 266.82 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine is sourced from PubChem (CID 114075596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).