1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine

C20H26N2 — CID 122547228

IUPAC1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine
SMILESC=C(NC(C)C)NC(Cc1ccccc1C)c1ccccc1
InChIInChI=1S/C20H26N2/c1-15(2)21-17(4)22-20(18-11-6-5-7-12-18)14-19-13-9-8-10-16(19)3/h5-13,15,20-22H,4,14H2,1-3H3
InChIKeyRBQVHQRMULSFFX-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.34
Rot. Bonds7

About 1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine

1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine (PubChem CID 122547228) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine
PubChem CID122547228
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine
SMILESC=C(NC(C)C)NC(Cc1ccccc1C)c1ccccc1
InChIInChI=1S/C20H26N2/c1-15(2)21-17(4)22-20(18-11-6-5-7-12-18)14-19-13-9-8-10-16(19)3/h5-13,15,20-22H,4,14H2,1-3H3
InChIKeyRBQVHQRMULSFFX-UHFFFAOYSA-N
XLogP4.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea
CID 110901372
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]-2-phenylacetamide
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ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol
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1-(2-chloro-2-phenylethyl)-2-methylbenzene
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1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
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(2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide
CID 99815635
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
methane;1-methyl-2-(2-methylpropyl)benzene
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1-methyl-2-(2-methylbut-3-ynyl)benzene
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N-[(1R)-3-methyl-1-phenylbutyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
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(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
CID 67621465

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine?
The IUPAC name of 1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine (CID 122547228) is 1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine.
What is the SMILES notation for 1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine?
The canonical SMILES for 1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine is C=C(NC(C)C)NC(Cc1ccccc1C)c1ccccc1.
What is the InChIKey of 1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine?
The InChIKey is RBQVHQRMULSFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-15(2)21-17(4)22-20(18-11-6-5-7-12-18)14-19-13-9-8-10-16(19)3/h5-13,15,20-22H,4,14H2,1-3H3.
What are the key properties of 1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine?
1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine has a molecular weight of 294.44 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine is sourced from PubChem (CID 122547228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).