4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride

C14H18Cl2N2 — CID 68567088

IUPAC4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc(CCc2ccccc2)c(N)c1
InChIInChI=1S/C14H16N2.2ClH/c15-13-9-8-12(14(16)10-13)7-6-11-4-2-1-3-5-11;;/h1-5,8-10H,6-7,15-16H2;2*1H
InChIKeyXTIDIEZUCAZQDE-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.48
Rot. Bonds3

About 4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride

4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride (PubChem CID 68567088) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride
PubChem CID68567088
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc(CCc2ccccc2)c(N)c1
InChIInChI=1S/C14H16N2.2ClH/c15-13-9-8-12(14(16)10-13)7-6-11-4-2-1-3-5-11;;/h1-5,8-10H,6-7,15-16H2;2*1H
InChIKeyXTIDIEZUCAZQDE-UHFFFAOYSA-N
XLogP3.48
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(2-phenylethyl)benzoic acid
CID 66690543
methyl 5-amino-2-(2-phenylethyl)benzoate
CID 22321866
4-[2-(1H-indol-3-yl)ethyl]benzene-1,3-diamine
CID 58608980
3-(2,4-diaminophenyl)propane-1-thiol
CID 57273820
benzene;2-phenylethylbenzene
CID 18982764
4-benzyl-3-methylaniline
CID 12846586
hafnium;2-phenylethylbenzene
CID 173109801
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
4-[3-[1-(2,4-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine
CID 150262109
6-methyl-5-(2-phenylethyl)pyridin-2-amine
CID 68841631
2-phenylethanol;4-(2-phenylethenyl)benzene-1,3-diamine
CID 159406266
3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 65483308

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride?
The IUPAC name of 4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride (CID 68567088) is 4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride.
What is the SMILES notation for 4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride?
The canonical SMILES for 4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride is Cl.Cl.Nc1ccc(CCc2ccccc2)c(N)c1.
What is the InChIKey of 4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride?
The InChIKey is XTIDIEZUCAZQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.2ClH/c15-13-9-8-12(14(16)10-13)7-6-11-4-2-1-3-5-11;;/h1-5,8-10H,6-7,15-16H2;2*1H.
What are the key properties of 4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride?
4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride has a molecular weight of 285.22 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride is sourced from PubChem (CID 68567088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).