N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline

C15H26N2 — CID 114054861

IUPACN,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCCN(CC)c1ccc(C)cc1CNC(C)C
InChIInChI=1S/C15H26N2/c1-6-17(7-2)15-9-8-13(5)10-14(15)11-16-12(3)4/h8-10,12,16H,6-7,11H2,1-5H3
InChIKeyPXUJHVFMQNYLST-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.34
Rot. Bonds6

About N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline

N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline (PubChem CID 114054861) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline
PubChem CID114054861
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCCN(CC)c1ccc(C)cc1CNC(C)C
InChIInChI=1S/C15H26N2/c1-6-17(7-2)15-9-8-13(5)10-14(15)11-16-12(3)4/h8-10,12,16H,6-7,11H2,1-5H3
InChIKeyPXUJHVFMQNYLST-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline
CID 114055099
N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine
CID 81110490
N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 55009119
2-(bromomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline
CID 114054619
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline
CID 62134843
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine
CID 55204171
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline
CID 114016626
5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281562
4-chloro-N-methyl-N-(3-methylphenyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114850493

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline (CID 114054861) is N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline is CCN(CC)c1ccc(C)cc1CNC(C)C.
What is the InChIKey of N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline?
The InChIKey is PXUJHVFMQNYLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-17(7-2)15-9-8-13(5)10-14(15)11-16-12(3)4/h8-10,12,16H,6-7,11H2,1-5H3.
What are the key properties of N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline?
N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-2-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 114054861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).