N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline

C17H21NO — CID 159991714

IUPACN,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
SMILESCC(C)Oc1ccc(-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H21NO/c1-13(2)19-17-11-7-15(8-12-17)14-5-9-16(10-6-14)18(3)4/h5-13H,1-4H3
InChIKeyHJXZFZOWNAGEEW-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.21
Rot. Bonds4

About N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline

N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline (PubChem CID 159991714) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
PubChem CID159991714
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
SMILESCC(C)Oc1ccc(-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H21NO/c1-13(2)19-17-11-7-15(8-12-17)14-5-9-16(10-6-14)18(3)4/h5-13H,1-4H3
InChIKeyHJXZFZOWNAGEEW-UHFFFAOYSA-N
XLogP4.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
4-[4-(4-propan-2-yloxyphenyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]anilino]benzaldehyde
CID 168953005
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215396
N,N-dimethyl-4-pentan-2-yloxyaniline
CID 143580659
N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 116914623
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
CID 16889377
1,3-dimethyl-1-(4-propan-2-yloxyphenyl)urea
CID 115169003
N-[3,5-di(propan-2-yloxy)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3,5-di(propan-2-yloxy)aniline
CID 67813888
1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574879
N-methyl-4-propan-2-yloxyaniline
CID 18002910
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
N,N-dimethyl-4-[4-[1-(methylamino)ethyl]phenyl]aniline
CID 54911733

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline?
The IUPAC name of N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline (CID 159991714) is N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline is CC(C)Oc1ccc(-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline?
The InChIKey is HJXZFZOWNAGEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)19-17-11-7-15(8-12-17)14-5-9-16(10-6-14)18(3)4/h5-13H,1-4H3.
What are the key properties of N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline?
N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline has a molecular weight of 255.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline is sourced from PubChem (CID 159991714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).