N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline

C17H22N2 — CID 55190482

IUPACN-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)c2ccc([C@@H](C)N)cc2)c(C)c1
InChIInChI=1S/C17H22N2/c1-12-5-10-17(13(2)11-12)19(4)16-8-6-15(7-9-16)14(3)18/h5-11,14H,18H2,1-4H3/t14-/m1/s1
InChIKeyDWDKHSSDRYLECI-CQSZACIVSA-N
MW254.38 g/mol
LogP4.09
Rot. Bonds3

About N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline

N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline (PubChem CID 55190482) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline.

Molecular Properties

Compound NameN-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline
PubChem CID55190482
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)c2ccc([C@@H](C)N)cc2)c(C)c1
InChIInChI=1S/C17H22N2/c1-12-5-10-17(13(2)11-12)19(4)16-8-6-15(7-9-16)14(3)18/h5-11,14H,18H2,1-4H3/t14-/m1/s1
InChIKeyDWDKHSSDRYLECI-CQSZACIVSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Desipramine
CID 2995
Imipramine
CID 3696
Trimipramine
CID 5584
Imipramine Hydrochloride
CID 8228
Desipramine Hydrochloride
CID 65327
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Solvent Yellow 34
CID 10298
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
Dicarbine
CID 65684
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
4,4'-Dioctyldiphenylamine
CID 7569

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline?
The IUPAC name of N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline (CID 55190482) is N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline.
What is the SMILES notation for N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline?
The canonical SMILES for N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline is Cc1ccc(N(C)c2ccc([C@@H](C)N)cc2)c(C)c1.
What is the InChIKey of N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline?
The InChIKey is DWDKHSSDRYLECI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-5-10-17(13(2)11-12)19(4)16-8-6-15(7-9-16)14(3)18/h5-11,14H,18H2,1-4H3/t14-/m1/s1.
What are the key properties of N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline?
N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline has a molecular weight of 254.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline is sourced from PubChem (CID 55190482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).