4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine

C14H23ClN2 — CID 115468800

IUPAC4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine
SMILESCCCCCN(c1cc(Cl)ccc1N)C(C)C
InChIInChI=1S/C14H23ClN2/c1-4-5-6-9-17(11(2)3)14-10-12(15)7-8-13(14)16/h7-8,10-11H,4-6,9,16H2,1-3H3
InChIKeyDQSNJAXBZBVMKI-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.33
Rot. Bonds6

About 4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine

4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine (PubChem CID 115468800) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine
PubChem CID115468800
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine
SMILESCCCCCN(c1cc(Cl)ccc1N)C(C)C
InChIInChI=1S/C14H23ClN2/c1-4-5-6-9-17(11(2)3)14-10-12(15)7-8-13(14)16/h7-8,10-11H,4-6,9,16H2,1-3H3
InChIKeyDQSNJAXBZBVMKI-UHFFFAOYSA-N
XLogP4.33
TPSA29.26 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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide
CID 82899358
5-chloro-2-[pentyl(propan-2-yl)amino]benzenecarbothioamide
CID 55225001
2-N-butyl-4-chloro-2-N-ethylbenzene-1,2-diamine
CID 115468453
5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine
CID 63402856
3-chloro-4-[pentyl(propan-2-yl)amino]benzenecarbothioamide
CID 63519079
2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 63401799
4-[(1S)-1-aminoethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 55188895
4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402640
4-amino-3-[butan-2-yl(butyl)amino]benzenesulfonamide
CID 82907017
2-chloro-4-(methylaminomethyl)-N-pentyl-N-propan-2-ylaniline
CID 81149585
4-chloro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
CID 112657083
N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 60869676

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine (CID 115468800) is 4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine is CCCCCN(c1cc(Cl)ccc1N)C(C)C.
What is the InChIKey of 4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine?
The InChIKey is DQSNJAXBZBVMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-5-6-9-17(11(2)3)14-10-12(15)7-8-13(14)16/h7-8,10-11H,4-6,9,16H2,1-3H3.
What are the key properties of 4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine?
4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine has a molecular weight of 254.80 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-pentyl-2-N-propan-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 115468800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).