3-(4-ethylphenyl)propane-1,2-diamine

C11H18N2 — CID 151041648

IUPAC3-(4-ethylphenyl)propane-1,2-diamine
SMILESCCc1ccc(CC(N)CN)cc1
InChIInChI=1S/C11H18N2/c1-2-9-3-5-10(6-4-9)7-11(13)8-12/h3-6,11H,2,7-8,12-13H2,1H3
InChIKeyMCFIDMNVNQIBGP-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.08
Rot. Bonds4

About 3-(4-ethylphenyl)propane-1,2-diamine

3-(4-ethylphenyl)propane-1,2-diamine (PubChem CID 151041648) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-(4-ethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(4-ethylphenyl)propane-1,2-diamine
PubChem CID151041648
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-(4-ethylphenyl)propane-1,2-diamine
SMILESCCc1ccc(CC(N)CN)cc1
InChIInChI=1S/C11H18N2/c1-2-9-3-5-10(6-4-9)7-11(13)8-12/h3-6,11H,2,7-8,12-13H2,1H3
InChIKeyMCFIDMNVNQIBGP-UHFFFAOYSA-N
XLogP1.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)undecan-2-amine
CID 115803351
1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine
CID 105101467
ethene;3-phenylpropane-1,2-diamine
CID 175295695
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024928
3-N-(4-ethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119487
2-[(4-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63498649
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
CID 162027141
CID 162027141
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
CID 116933036
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)propane-1,2-diamine?
The IUPAC name of 3-(4-ethylphenyl)propane-1,2-diamine (CID 151041648) is 3-(4-ethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 3-(4-ethylphenyl)propane-1,2-diamine?
The canonical SMILES for 3-(4-ethylphenyl)propane-1,2-diamine is CCc1ccc(CC(N)CN)cc1.
What is the InChIKey of 3-(4-ethylphenyl)propane-1,2-diamine?
The InChIKey is MCFIDMNVNQIBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-9-3-5-10(6-4-9)7-11(13)8-12/h3-6,11H,2,7-8,12-13H2,1H3.
What are the key properties of 3-(4-ethylphenyl)propane-1,2-diamine?
3-(4-ethylphenyl)propane-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 151041648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).