4-[amino(phenyl)methyl]-N,N-diethylaniline

C17H22N2 — CID 154345063

IUPAC4-[amino(phenyl)methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(N)c2ccccc2)cc1
InChIInChI=1S/C17H22N2/c1-3-19(4-2)16-12-10-15(11-13-16)17(18)14-8-6-5-7-9-14/h5-13,17H,3-4,18H2,1-2H3
InChIKeyNHXBPRJDGGNRFE-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.58
Rot. Bonds5

About 4-[amino(phenyl)methyl]-N,N-diethylaniline

4-[amino(phenyl)methyl]-N,N-diethylaniline (PubChem CID 154345063) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[amino(phenyl)methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[amino(phenyl)methyl]-N,N-diethylaniline
PubChem CID154345063
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-[amino(phenyl)methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(N)c2ccccc2)cc1
InChIInChI=1S/C17H22N2/c1-3-19(4-2)16-12-10-15(11-13-16)17(18)14-8-6-5-7-9-14/h5-13,17H,3-4,18H2,1-2H3
InChIKeyNHXBPRJDGGNRFE-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-(1-phenylethyl)aniline
CID 68828092
N,N-diethylaniline;hydrazine
CID 161037544
N,N-diethylaniline
CID 7061
CID 161146216
CID 161146216
4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline
CID 171227521
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
(1R,2S)-1-amino-1-[4-(diethylamino)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171263451
(1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride
CID 171207945
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline
CID 66511663
diphenylmethanamine;methanethiol
CID 143873840
4-(difluoromethyl)-N,N-diethylaniline
CID 154791327
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837

Frequently Asked Questions

What is the IUPAC name of 4-[amino(phenyl)methyl]-N,N-diethylaniline?
The IUPAC name of 4-[amino(phenyl)methyl]-N,N-diethylaniline (CID 154345063) is 4-[amino(phenyl)methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[amino(phenyl)methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[amino(phenyl)methyl]-N,N-diethylaniline is CCN(CC)c1ccc(C(N)c2ccccc2)cc1.
What is the InChIKey of 4-[amino(phenyl)methyl]-N,N-diethylaniline?
The InChIKey is NHXBPRJDGGNRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-19(4-2)16-12-10-15(11-13-16)17(18)14-8-6-5-7-9-14/h5-13,17H,3-4,18H2,1-2H3.
What are the key properties of 4-[amino(phenyl)methyl]-N,N-diethylaniline?
4-[amino(phenyl)methyl]-N,N-diethylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(phenyl)methyl]-N,N-diethylaniline is sourced from PubChem (CID 154345063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).