2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine

C18H24N2 — CID 60709858

IUPAC2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine
SMILESCCN(c1ccccc1)C(CN)C(C)c1ccccc1
InChIInChI=1S/C18H24N2/c1-3-20(17-12-8-5-9-13-17)18(14-19)15(2)16-10-6-4-7-11-16/h4-13,15,18H,3,14,19H2,1-2H3
InChIKeyNKYQMKUULQRPQQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.64
Rot. Bonds6

About 2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine

2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine (PubChem CID 60709858) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine
PubChem CID60709858
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine
SMILESCCN(c1ccccc1)C(CN)C(C)c1ccccc1
InChIInChI=1S/C18H24N2/c1-3-20(17-12-8-5-9-13-17)18(14-19)15(2)16-10-6-4-7-11-16/h4-13,15,18H,3,14,19H2,1-2H3
InChIKeyNKYQMKUULQRPQQ-UHFFFAOYSA-N
XLogP3.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine
CID 61099083
2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine
CID 43752644
(3S)-2-methyl-3-phenylbutan-1-amine
CID 143116656
2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine
CID 61099442
1-(2-ethoxyphenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43180434
2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine
CID 55001720
2-methoxy-3-phenylbutan-1-amine
CID 66071958
1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride
CID 19706422
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
2-fluoro-3-phenylbutan-1-amine
CID 126843894
2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine
CID 116501784
5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol
CID 16784608

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine (CID 60709858) is 2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine is CCN(c1ccccc1)C(CN)C(C)c1ccccc1.
What is the InChIKey of 2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine?
The InChIKey is NKYQMKUULQRPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-20(17-12-8-5-9-13-17)18(14-19)15(2)16-10-6-4-7-11-16/h4-13,15,18H,3,14,19H2,1-2H3.
What are the key properties of 2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine?
2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine is sourced from PubChem (CID 60709858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).