2,6-dimethyl-3-(2-phenylpropylamino)phenol

C17H21NO — CID 43741638

IUPAC2,6-dimethyl-3-(2-phenylpropylamino)phenol
SMILESCc1ccc(NCC(C)c2ccccc2)c(C)c1O
InChIInChI=1S/C17H21NO/c1-12-9-10-16(14(3)17(12)19)18-11-13(2)15-7-5-4-6-8-15/h4-10,13,18-19H,11H2,1-3H3
InChIKeyZLCUSOKGOUIJDE-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.22
Rot. Bonds4

About 2,6-dimethyl-3-(2-phenylpropylamino)phenol

2,6-dimethyl-3-(2-phenylpropylamino)phenol (PubChem CID 43741638) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,6-dimethyl-3-(2-phenylpropylamino)phenol.

Molecular Properties

Compound Name2,6-dimethyl-3-(2-phenylpropylamino)phenol
PubChem CID43741638
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2,6-dimethyl-3-(2-phenylpropylamino)phenol
SMILESCc1ccc(NCC(C)c2ccccc2)c(C)c1O
InChIInChI=1S/C17H21NO/c1-12-9-10-16(14(3)17(12)19)18-11-13(2)15-7-5-4-6-8-15/h4-10,13,18-19H,11H2,1-3H3
InChIKeyZLCUSOKGOUIJDE-UHFFFAOYSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methyl-N-(2-phenylpropyl)aniline
CID 43103911
N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide
CID 43739518
2,4,6-trimethyl-N-(2-phenylpropyl)aniline
CID 55192336
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
5-amino-2-(2-phenylpropylamino)benzoic acid
CID 104592149
4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine
CID 104591215
3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol
CID 62536428
5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol
CID 59073560
3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine
CID 115376642
2-methyl-N-(2-phenylpropyl)quinolin-4-amine
CID 104591691
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
4-methyl-N-(2-phenylpropyl)-2-propoxyaniline
CID 63453079

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(2-phenylpropylamino)phenol?
The IUPAC name of 2,6-dimethyl-3-(2-phenylpropylamino)phenol (CID 43741638) is 2,6-dimethyl-3-(2-phenylpropylamino)phenol.
What is the SMILES notation for 2,6-dimethyl-3-(2-phenylpropylamino)phenol?
The canonical SMILES for 2,6-dimethyl-3-(2-phenylpropylamino)phenol is Cc1ccc(NCC(C)c2ccccc2)c(C)c1O.
What is the InChIKey of 2,6-dimethyl-3-(2-phenylpropylamino)phenol?
The InChIKey is ZLCUSOKGOUIJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-9-10-16(14(3)17(12)19)18-11-13(2)15-7-5-4-6-8-15/h4-10,13,18-19H,11H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-(2-phenylpropylamino)phenol?
2,6-dimethyl-3-(2-phenylpropylamino)phenol has a molecular weight of 255.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(2-phenylpropylamino)phenol is sourced from PubChem (CID 43741638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).