2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine

C12H20N2 — CID 103389165

IUPAC2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine
SMILESCc1ccc(C(C)NC(C)CN)cc1
InChIInChI=1S/C12H20N2/c1-9-4-6-12(7-5-9)11(3)14-10(2)8-13/h4-7,10-11,14H,8,13H2,1-3H3
InChIKeySVILCEGHHBHQCG-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.99
Rot. Bonds4

About 2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine

2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine (PubChem CID 103389165) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine
PubChem CID103389165
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine
SMILESCc1ccc(C(C)NC(C)CN)cc1
InChIInChI=1S/C12H20N2/c1-9-4-6-12(7-5-9)11(3)14-10(2)8-13/h4-7,10-11,14H,8,13H2,1-3H3
InChIKeySVILCEGHHBHQCG-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 93082887
N'-hydroxy-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanimidamide
CID 81355743
ethyl 3-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81356889
4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine
CID 81349447
N-[(1S)-1-(4-methylphenyl)ethyl]octan-2-amine
CID 81356110
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
methyl 3-[1-(4-methylphenyl)ethylamino]butanoate
CID 54963886
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
2-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167
6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
CID 116534570
3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 79253731

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine?
The IUPAC name of 2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine (CID 103389165) is 2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine is Cc1ccc(C(C)NC(C)CN)cc1.
What is the InChIKey of 2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine?
The InChIKey is SVILCEGHHBHQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-4-6-12(7-5-9)11(3)14-10(2)8-13/h4-7,10-11,14H,8,13H2,1-3H3.
What are the key properties of 2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine?
2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 103389165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).