2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine

C18H24N2 — CID 115251452

IUPAC2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine
SMILESCCC(CN)CNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-2-15(12-19)13-20-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,20H,2,12-14,19H2,1H3
InChIKeyACLRPNDGYFOQMY-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.43
Rot. Bonds7

About 2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine

2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine (PubChem CID 115251452) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine
PubChem CID115251452
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine
SMILESCCC(CN)CNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-2-15(12-19)13-20-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,20H,2,12-14,19H2,1H3
InChIKeyACLRPNDGYFOQMY-UHFFFAOYSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine
CID 115119687
2-ethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine
CID 115251485
1-N-[(4-phenylphenyl)methyl]propane-1,2-diamine
CID 24936247
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine
CID 81079797
N'-[(4-methylsulfonylphenyl)methyl]-2-propylpropane-1,3-diamine
CID 65233313
N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine
CID 115251519
N-(bromomethyl)-1-(4-phenylphenyl)methanamine
CID 115261872
N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
(2R)-2-benzylbutan-1-amine
CID 42325983
N-[3-(2-ethylhexylamino)propyl]-N'-[[4-[3-[4-[[3-[3-(2-ethylhexylamino)propylamino]propylamino]methyl]phenyl]phenyl]phenyl]methyl]propane-1,3-diamine
CID 146319494
3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride
CID 17206786

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine (CID 115251452) is 2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine is CCC(CN)CNCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine?
The InChIKey is ACLRPNDGYFOQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-15(12-19)13-20-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,20H,2,12-14,19H2,1H3.
What are the key properties of 2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine?
2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115251452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).