N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline

C17H22N2 — CID 23617333

IUPACN-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline
SMILESCC(c1ccccc1CNc1ccccc1)N(C)C
InChIInChI=1S/C17H22N2/c1-14(19(2)3)17-12-8-7-9-15(17)13-18-16-10-5-4-6-11-16/h4-12,14,18H,13H2,1-3H3
InChIKeyWFGOPHPYUJUFLU-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.92
Rot. Bonds5

About N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline

N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline (PubChem CID 23617333) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline
PubChem CID23617333
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline
SMILESCC(c1ccccc1CNc1ccccc1)N(C)C
InChIInChI=1S/C17H22N2/c1-14(19(2)3)17-12-8-7-9-15(17)13-18-16-10-5-4-6-11-16/h4-12,14,18H,13H2,1-3H3
InChIKeyWFGOPHPYUJUFLU-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
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N-[[2-(2-phenylethyl)phenyl]methyl]aniline
CID 147323955
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N-[(2-ethenylphenyl)methyl]aniline
CID 68786307
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28551331
ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
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(1S)-N,N-dimethyl-1-(2-methylselanylphenyl)ethanamine
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N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline
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CID 62392123

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline?
The IUPAC name of N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline (CID 23617333) is N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline.
What is the SMILES notation for N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline?
The canonical SMILES for N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline is CC(c1ccccc1CNc1ccccc1)N(C)C.
What is the InChIKey of N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline?
The InChIKey is WFGOPHPYUJUFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14(19(2)3)17-12-8-7-9-15(17)13-18-16-10-5-4-6-11-16/h4-12,14,18H,13H2,1-3H3.
What are the key properties of N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline?
N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline has a molecular weight of 254.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(dimethylamino)ethyl]phenyl]methyl]aniline is sourced from PubChem (CID 23617333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).