1-(3-phenylphenyl)ethane-1,1-diamine

C14H16N2 — CID 174427406

IUPAC1-(3-phenylphenyl)ethane-1,1-diamine
SMILESCC(N)(N)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C14H16N2/c1-14(15,16)13-9-5-8-12(10-13)11-6-3-2-4-7-11/h2-10H,15-16H2,1H3
InChIKeyUUCPNYVWNVPFIR-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.44
Rot. Bonds2

About 1-(3-phenylphenyl)ethane-1,1-diamine

1-(3-phenylphenyl)ethane-1,1-diamine (PubChem CID 174427406) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-(3-phenylphenyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-(3-phenylphenyl)ethane-1,1-diamine
PubChem CID174427406
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-(3-phenylphenyl)ethane-1,1-diamine
SMILESCC(N)(N)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C14H16N2/c1-14(15,16)13-9-5-8-12(10-13)11-6-3-2-4-7-11/h2-10H,15-16H2,1H3
InChIKeyUUCPNYVWNVPFIR-UHFFFAOYSA-N
XLogP2.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
bis(1,3-diphenylbenzene);ethane
CID 144938975
2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene
CID 140865935
3-methyl-3-(3-phenylphenyl)butanoic acid
CID 117389329
1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999
1,1-diphenylethanamine
CID 12761172
1,3-diphenylbenzene;ethane;methane
CID 171489435
1-(3-phenylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
CID 162347175

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylphenyl)ethane-1,1-diamine?
The IUPAC name of 1-(3-phenylphenyl)ethane-1,1-diamine (CID 174427406) is 1-(3-phenylphenyl)ethane-1,1-diamine.
What is the SMILES notation for 1-(3-phenylphenyl)ethane-1,1-diamine?
The canonical SMILES for 1-(3-phenylphenyl)ethane-1,1-diamine is CC(N)(N)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-(3-phenylphenyl)ethane-1,1-diamine?
The InChIKey is UUCPNYVWNVPFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-14(15,16)13-9-5-8-12(10-13)11-6-3-2-4-7-11/h2-10H,15-16H2,1H3.
What are the key properties of 1-(3-phenylphenyl)ethane-1,1-diamine?
1-(3-phenylphenyl)ethane-1,1-diamine has a molecular weight of 212.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylphenyl)ethane-1,1-diamine is sourced from PubChem (CID 174427406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).