N,N-diethyl-4-(1-phenylethyl)aniline

C18H23N — CID 68828092

IUPACN,N-diethyl-4-(1-phenylethyl)aniline
SMILESCCN(CC)c1ccc(C(C)c2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-4-19(5-2)18-13-11-17(12-14-18)15(3)16-9-7-6-8-10-16/h6-15H,4-5H2,1-3H3
InChIKeyWMHALFWFBHJUSN-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.68
Rot. Bonds5

About N,N-diethyl-4-(1-phenylethyl)aniline

N,N-diethyl-4-(1-phenylethyl)aniline (PubChem CID 68828092) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N,N-diethyl-4-(1-phenylethyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(1-phenylethyl)aniline
PubChem CID68828092
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN,N-diethyl-4-(1-phenylethyl)aniline
SMILESCCN(CC)c1ccc(C(C)c2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-4-19(5-2)18-13-11-17(12-14-18)15(3)16-9-7-6-8-10-16/h6-15H,4-5H2,1-3H3
InChIKeyWMHALFWFBHJUSN-UHFFFAOYSA-N
XLogP4.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[amino(phenyl)methyl]-N,N-diethylaniline
CID 154345063
N,N-diethylaniline
CID 7061
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethylaniline;hydrazine
CID 161037544
ethanamine;1-phenylethylbenzene
CID 19985218
4-(difluoromethyl)-N,N-diethylaniline
CID 154791327
1-phenylethylbenzene;stibane
CID 174965918
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
ethane;1-phenylethylbenzene
CID 164998811
dichloromethane;N,N-diethylaniline
CID 157472052

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(1-phenylethyl)aniline?
The IUPAC name of N,N-diethyl-4-(1-phenylethyl)aniline (CID 68828092) is N,N-diethyl-4-(1-phenylethyl)aniline.
What is the SMILES notation for N,N-diethyl-4-(1-phenylethyl)aniline?
The canonical SMILES for N,N-diethyl-4-(1-phenylethyl)aniline is CCN(CC)c1ccc(C(C)c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-(1-phenylethyl)aniline?
The InChIKey is WMHALFWFBHJUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-19(5-2)18-13-11-17(12-14-18)15(3)16-9-7-6-8-10-16/h6-15H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-(1-phenylethyl)aniline?
N,N-diethyl-4-(1-phenylethyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(1-phenylethyl)aniline is sourced from PubChem (CID 68828092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).