1-N-(4-ethylphenyl)butane-1,2-diamine

C12H20N2 — CID 83961853

IUPAC1-N-(4-ethylphenyl)butane-1,2-diamine
SMILESCCc1ccc(NCC(N)CC)cc1
InChIInChI=1S/C12H20N2/c1-3-10-5-7-12(8-6-10)14-9-11(13)4-2/h5-8,11,14H,3-4,9,13H2,1-2H3
InChIKeyIOVHOWCGNPIJJK-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.40
Rot. Bonds5

About 1-N-(4-ethylphenyl)butane-1,2-diamine

1-N-(4-ethylphenyl)butane-1,2-diamine (PubChem CID 83961853) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-N-(4-ethylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-ethylphenyl)butane-1,2-diamine
PubChem CID83961853
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-N-(4-ethylphenyl)butane-1,2-diamine
SMILESCCc1ccc(NCC(N)CC)cc1
InChIInChI=1S/C12H20N2/c1-3-10-5-7-12(8-6-10)14-9-11(13)4-2/h5-8,11,14H,3-4,9,13H2,1-2H3
InChIKeyIOVHOWCGNPIJJK-UHFFFAOYSA-N
XLogP2.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-aminobutylamino)phenyl]ethanol
CID 83962947
1-N-(3,4-dimethylphenyl)butane-1,2-diamine
CID 83961425
1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine
CID 83946331
N,4-diethylaniline
CID 6429431
1-N-(3-chlorophenyl)butane-1,2-diamine
CID 83944476
1-(diethylamino)-3-(4-ethylanilino)propan-2-ol
CID 60900874
1-N-[(4-chlorophenyl)methyl]butane-1,2-diamine
CID 83960586
1-N-[4-(propan-2-ylsulfanylmethyl)phenyl]hexane-1,2-diamine
CID 83961130
N-tert-butyl-4-ethylaniline
CID 58745565
1-(4-ethylphenoxy)butan-2-amine
CID 62038281
3-amino-4-(4-octylanilino)butan-1-ol
CID 45256386
3-(4-ethylanilino)-2-phenylpropanoic acid
CID 64566244

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethylphenyl)butane-1,2-diamine?
The IUPAC name of 1-N-(4-ethylphenyl)butane-1,2-diamine (CID 83961853) is 1-N-(4-ethylphenyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(4-ethylphenyl)butane-1,2-diamine?
The canonical SMILES for 1-N-(4-ethylphenyl)butane-1,2-diamine is CCc1ccc(NCC(N)CC)cc1.
What is the InChIKey of 1-N-(4-ethylphenyl)butane-1,2-diamine?
The InChIKey is IOVHOWCGNPIJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-10-5-7-12(8-6-10)14-9-11(13)4-2/h5-8,11,14H,3-4,9,13H2,1-2H3.
What are the key properties of 1-N-(4-ethylphenyl)butane-1,2-diamine?
1-N-(4-ethylphenyl)butane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethylphenyl)butane-1,2-diamine is sourced from PubChem (CID 83961853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).