ethane;N-(2-phenylethyl)aniline

C18H27N — CID 91194556

IUPACethane;N-(2-phenylethyl)aniline
SMILESCC.CC.c1ccc(CCNc2ccccc2)cc1
InChIInChI=1S/C14H15N.2C2H6/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14;2*1-2/h1-10,15H,11-12H2;2*1-2H3
InChIKeyNLUUTOFGRMNWFD-UHFFFAOYSA-N
MW257.42 g/mol
LogP5.39
Rot. Bonds4

About ethane;N-(2-phenylethyl)aniline

ethane;N-(2-phenylethyl)aniline (PubChem CID 91194556) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is ethane;N-(2-phenylethyl)aniline.

Molecular Properties

Compound Nameethane;N-(2-phenylethyl)aniline
PubChem CID91194556
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Nameethane;N-(2-phenylethyl)aniline
SMILESCC.CC.c1ccc(CCNc2ccccc2)cc1
InChIInChI=1S/C14H15N.2C2H6/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14;2*1-2/h1-10,15H,11-12H2;2*1-2H3
InChIKeyNLUUTOFGRMNWFD-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
N-[2-[4-(aminomethyl)phenyl]ethyl]aniline
CID 105484105
4-(methoxymethyl)-N-(2-phenylethyl)aniline
CID 83961080
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
4-methylsulfonyl-N-(2-phenylethyl)aniline
CID 4654221
N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine
CID 39367289
4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline
CID 66675261
3-(2-phenylethylamino)phenol
CID 28722392
2-phenylethanamine;N-propylaniline
CID 174836088
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
ethane;N'-phenylethane-1,2-diamine
CID 91048519

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-phenylethyl)aniline?
The IUPAC name of ethane;N-(2-phenylethyl)aniline (CID 91194556) is ethane;N-(2-phenylethyl)aniline.
What is the SMILES notation for ethane;N-(2-phenylethyl)aniline?
The canonical SMILES for ethane;N-(2-phenylethyl)aniline is CC.CC.c1ccc(CCNc2ccccc2)cc1.
What is the InChIKey of ethane;N-(2-phenylethyl)aniline?
The InChIKey is NLUUTOFGRMNWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.2C2H6/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14;2*1-2/h1-10,15H,11-12H2;2*1-2H3.
What are the key properties of ethane;N-(2-phenylethyl)aniline?
ethane;N-(2-phenylethyl)aniline has a molecular weight of 257.42 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-phenylethyl)aniline is sourced from PubChem (CID 91194556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).