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

C19H26N2 — CID 66481601

IUPACN,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline
SMILESCc1cc(CNC(C)C)ccc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C19H26N2/c1-14(2)20-13-16-6-11-19(15(3)12-16)17-7-9-18(10-8-17)21(4)5/h6-12,14,20H,13H2,1-5H3
InChIKeyNOBGKDDHTCDCDS-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.23
Rot. Bonds5

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

N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline (PubChem CID 66481601) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline
PubChem CID66481601
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline
SMILESCc1cc(CNC(C)C)ccc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C19H26N2/c1-14(2)20-13-16-6-11-19(15(3)12-16)17-7-9-18(10-8-17)21(4)5/h6-12,14,20H,13H2,1-5H3
InChIKeyNOBGKDDHTCDCDS-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66480830
4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline
CID 66481798
N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine
CID 66481639
N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 79692007
N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66481228
N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine
CID 116545316
N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline
CID 106886715
N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine
CID 115503587
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine
CID 66481817
N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408408
N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732388

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline (CID 66481601) is N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline is Cc1cc(CNC(C)C)ccc1-c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline?
The InChIKey is NOBGKDDHTCDCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14(2)20-13-16-6-11-19(15(3)12-16)17-7-9-18(10-8-17)21(4)5/h6-12,14,20H,13H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline?
N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline has a molecular weight of 282.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline is sourced from PubChem (CID 66481601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).