N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline

C19H26N2 — CID 63550784

IUPACN-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
SMILESCCN(c1ccc(CNC(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C19H26N2/c1-5-21(19-8-6-7-16(4)13-19)18-11-9-17(10-12-18)14-20-15(2)3/h6-13,15,20H,5,14H2,1-4H3
InChIKeyHOACJZQREJOGAJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.65
Rot. Bonds6

About N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline

N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline (PubChem CID 63550784) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
PubChem CID63550784
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
SMILESCCN(c1ccc(CNC(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C19H26N2/c1-5-21(19-8-6-7-16(4)13-19)18-11-9-17(10-12-18)14-20-15(2)3/h6-13,15,20H,5,14H2,1-4H3
InChIKeyHOACJZQREJOGAJ-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63551208
N-ethyl-N-[4-(ethylaminomethyl)phenyl]-3-methylaniline
CID 63550597
1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113037388
N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63552892
N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62428170
N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62293176
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline
CID 146536835
4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
CID 113367563
2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 63502872
2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109247056

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline?
The IUPAC name of N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline (CID 63550784) is N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline.
What is the SMILES notation for N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline?
The canonical SMILES for N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline is CCN(c1ccc(CNC(C)C)cc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline?
The InChIKey is HOACJZQREJOGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-21(19-8-6-7-16(4)13-19)18-11-9-17(10-12-18)14-20-15(2)3/h6-13,15,20H,5,14H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline?
N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline has a molecular weight of 282.43 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline is sourced from PubChem (CID 63550784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).