1-ethyl-3-(3-ethylphenyl)benzene;methanediamine

C17H24N2 — CID 134305122

IUPAC1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
SMILESCCc1cccc(-c2cccc(CC)c2)c1.NCN
InChIInChI=1S/C16H18.CH6N2/c1-3-13-7-5-9-15(11-13)16-10-6-8-14(4-2)12-16;2-1-3/h5-12H,3-4H2,1-2H3;1-3H2
InChIKeyWHGNZXPQXIESPM-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.34
Rot. Bonds3

About 1-ethyl-3-(3-ethylphenyl)benzene;methanediamine

1-ethyl-3-(3-ethylphenyl)benzene;methanediamine (PubChem CID 134305122) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-ethyl-3-(3-ethylphenyl)benzene;methanediamine.

Molecular Properties

Compound Name1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
PubChem CID134305122
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
SMILESCCc1cccc(-c2cccc(CC)c2)c1.NCN
InChIInChI=1S/C16H18.CH6N2/c1-3-13-7-5-9-15(11-13)16-10-6-8-14(4-2)12-16;2-1-3/h5-12H,3-4H2,1-2H3;1-3H2
InChIKeyWHGNZXPQXIESPM-UHFFFAOYSA-N
XLogP3.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
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

1-ethyl-3-phenylbenzene;propane
CID 145466525
CID 143725407
CID 143725407
1-ethyl-3-[4-(iodomethyl)phenyl]benzene
CID 138533012
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
2-chloro-4-(3-ethylphenyl)aniline
CID 107607723
4-(3-ethylphenyl)benzamide
CID 54454087
4-(3-ethylphenyl)-1,2-dimethoxybenzene
CID 67818138
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane
CID 142939514
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene
CID 142394585
[5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine
CID 114996813

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-ethylphenyl)benzene;methanediamine?
The IUPAC name of 1-ethyl-3-(3-ethylphenyl)benzene;methanediamine (CID 134305122) is 1-ethyl-3-(3-ethylphenyl)benzene;methanediamine.
What is the SMILES notation for 1-ethyl-3-(3-ethylphenyl)benzene;methanediamine?
The canonical SMILES for 1-ethyl-3-(3-ethylphenyl)benzene;methanediamine is CCc1cccc(-c2cccc(CC)c2)c1.NCN.
What is the InChIKey of 1-ethyl-3-(3-ethylphenyl)benzene;methanediamine?
The InChIKey is WHGNZXPQXIESPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.CH6N2/c1-3-13-7-5-9-15(11-13)16-10-6-8-14(4-2)12-16;2-1-3/h5-12H,3-4H2,1-2H3;1-3H2.
What are the key properties of 1-ethyl-3-(3-ethylphenyl)benzene;methanediamine?
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine has a molecular weight of 256.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-ethylphenyl)benzene;methanediamine is sourced from PubChem (CID 134305122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).