ethane;N'-phenylethane-1,2-diamine

C10H18N2 — CID 91048519

IUPACethane;N'-phenylethane-1,2-diamine
SMILESCC.NCCNc1ccccc1
InChIInChI=1S/C8H12N2.C2H6/c9-6-7-10-8-4-2-1-3-5-8;1-2/h1-5,10H,6-7,9H2;1-2H3
InChIKeyKYJOJRYWLHUICY-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.08
Rot. Bonds3

About ethane;N'-phenylethane-1,2-diamine

ethane;N'-phenylethane-1,2-diamine (PubChem CID 91048519) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;N'-phenylethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N'-phenylethane-1,2-diamine
PubChem CID91048519
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;N'-phenylethane-1,2-diamine
SMILESCC.NCCNc1ccccc1
InChIInChI=1S/C8H12N2.C2H6/c9-6-7-10-8-4-2-1-3-5-8;1-2/h1-5,10H,6-7,9H2;1-2H3
InChIKeyKYJOJRYWLHUICY-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

molecular hydrogen;N'-phenylethane-1,2-diamine;propane
CID 143734576
N'-(4-phenylphenyl)ethane-1,2-diamine
CID 15319687
N'-phenylheptane-1,7-diamine
CID 61149618
4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane
CID 145028947
N-propylaniline
CID 12153
isoquinoline;N'-phenylethane-1,2-diamine
CID 67835553
ethane;N-(2-phenylethyl)aniline
CID 91194556
2-phenylethanamine;N-propylaniline
CID 174836088
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
N'-[3-[(E)-2-phenylethenyl]phenyl]ethane-1,2-diamine
CID 89340469
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
4-(2-aminoethylamino)phenol
CID 15538569

Frequently Asked Questions

What is the IUPAC name of ethane;N'-phenylethane-1,2-diamine?
The IUPAC name of ethane;N'-phenylethane-1,2-diamine (CID 91048519) is ethane;N'-phenylethane-1,2-diamine.
What is the SMILES notation for ethane;N'-phenylethane-1,2-diamine?
The canonical SMILES for ethane;N'-phenylethane-1,2-diamine is CC.NCCNc1ccccc1.
What is the InChIKey of ethane;N'-phenylethane-1,2-diamine?
The InChIKey is KYJOJRYWLHUICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c9-6-7-10-8-4-2-1-3-5-8;1-2/h1-5,10H,6-7,9H2;1-2H3.
What are the key properties of ethane;N'-phenylethane-1,2-diamine?
ethane;N'-phenylethane-1,2-diamine has a molecular weight of 166.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-phenylethane-1,2-diamine is sourced from PubChem (CID 91048519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).