(1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol

C17H21NO — CID 78940853

IUPAC(1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol
SMILESCCc1ccc(N(C)c2ccc([C@H](C)O)cc2)cc1
InChIInChI=1S/C17H21NO/c1-4-14-5-9-16(10-6-14)18(3)17-11-7-15(8-12-17)13(2)19/h5-13,19H,4H2,1-3H3/t13-/m0/s1
InChIKeyTUAKTVKTMHCJLS-ZDUSSCGKSA-N
MW255.36 g/mol
LogP4.07
Rot. Bonds4

About (1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol

(1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol (PubChem CID 78940853) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol
PubChem CID78940853
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol
SMILESCCc1ccc(N(C)c2ccc([C@H](C)O)cc2)cc1
InChIInChI=1S/C17H21NO/c1-4-14-5-9-16(10-6-14)18(3)17-11-7-15(8-12-17)13(2)19/h5-13,19H,4H2,1-3H3/t13-/m0/s1
InChIKeyTUAKTVKTMHCJLS-ZDUSSCGKSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-ethylphenyl)phenyl]ethanol
CID 139710223
1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol
CID 22925659
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol
CID 115940436
1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 61415039
1-[4-[2-ethoxyethyl(methyl)amino]phenyl]ethanol
CID 81057167
1-[4-[butyl(methyl)amino]phenyl]ethanol
CID 43505960
(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
CID 130747007
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline
CID 63532852
1-[4-(chloromethyl)phenyl]ethanol
CID 12600511

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol (CID 78940853) is (1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol is CCc1ccc(N(C)c2ccc([C@H](C)O)cc2)cc1.
What is the InChIKey of (1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol?
The InChIKey is TUAKTVKTMHCJLS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-14-5-9-16(10-6-14)18(3)17-11-7-15(8-12-17)13(2)19/h5-13,19H,4H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol?
(1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol has a molecular weight of 255.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol is sourced from PubChem (CID 78940853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).