N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine

C21H30N2 — CID 145453268

IUPACN',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNC(Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C21H30N2/c1-4-23(5-2)16-15-22-21(17-19-9-7-6-8-10-19)20-13-11-18(3)12-14-20/h6-14,21-22H,4-5,15-17H2,1-3H3
InChIKeyMFBZWOYNTFGALI-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.21
Rot. Bonds9

About N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine

N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine (PubChem CID 145453268) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine
PubChem CID145453268
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC NameN',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNC(Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C21H30N2/c1-4-23(5-2)16-15-22-21(17-19-9-7-6-8-10-19)20-13-11-18(3)12-14-20/h6-14,21-22H,4-5,15-17H2,1-3H3
InChIKeyMFBZWOYNTFGALI-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine
CID 92573728
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride
CID 54605176
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594
N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
CID 43194034
2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol
CID 82312387
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
N-(2-ethoxyethyl)-1,2-diphenylethanamine
CID 43403746
2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol
CID 61049233
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine (CID 145453268) is N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine is CCN(CC)CCNC(Cc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine?
The InChIKey is MFBZWOYNTFGALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-4-23(5-2)16-15-22-21(17-19-9-7-6-8-10-19)20-13-11-18(3)12-14-20/h6-14,21-22H,4-5,15-17H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine has a molecular weight of 310.49 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine is sourced from PubChem (CID 145453268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).