2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine

C12H20N2 — CID 83930827

IUPAC2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine
SMILESCc1ccc(CCC(CN)CN)cc1
InChIInChI=1S/C12H20N2/c1-10-2-4-11(5-3-10)6-7-12(8-13)9-14/h2-5,12H,6-9,13-14H2,1H3
InChIKeyCUKWASUUXQBLCU-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.46
Rot. Bonds5

About 2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine

2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine (PubChem CID 83930827) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine
PubChem CID83930827
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine
SMILESCc1ccc(CCC(CN)CN)cc1
InChIInChI=1S/C12H20N2/c1-10-2-4-11(5-3-10)6-7-12(8-13)9-14/h2-5,12H,6-9,13-14H2,1H3
InChIKeyCUKWASUUXQBLCU-UHFFFAOYSA-N
XLogP1.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
2-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
CID 130315848
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine
CID 11816793
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
2-[(4-methylphenyl)methyl]heptan-1-amine
CID 62503996
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine;hydrochloride
CID 117047046
4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62505527
2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine
CID 143482271
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
formaldehyde;2-(4-methylphenyl)ethanamine
CID 142897602

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine (CID 83930827) is 2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine is Cc1ccc(CCC(CN)CN)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine?
The InChIKey is CUKWASUUXQBLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-2-4-11(5-3-10)6-7-12(8-13)9-14/h2-5,12H,6-9,13-14H2,1H3.
What are the key properties of 2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine?
2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 83930827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).