N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline

C22H31NO — CID 138545662

IUPACN-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline
SMILESCC(CN(C)c1ccccc1C(C)C)Oc1ccccc1C(C)C
InChIInChI=1S/C22H31NO/c1-16(2)19-11-7-9-13-21(19)23(6)15-18(5)24-22-14-10-8-12-20(22)17(3)4/h7-14,16-18H,15H2,1-6H3
InChIKeyHKAODIWVCGVLDM-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.84
Rot. Bonds7

About N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline

N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline (PubChem CID 138545662) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline
PubChem CID138545662
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC NameN-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline
SMILESCC(CN(C)c1ccccc1C(C)C)Oc1ccccc1C(C)C
InChIInChI=1S/C22H31NO/c1-16(2)19-11-7-9-13-21(19)23(6)15-18(5)24-22-14-10-8-12-20(22)17(3)4/h7-14,16-18H,15H2,1-6H3
InChIKeyHKAODIWVCGVLDM-UHFFFAOYSA-N
XLogP5.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62572033
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4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine
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N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 28772740
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
(2R)-N,N-dimethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 94011896
2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol
CID 64804774
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62572170

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline?
The IUPAC name of N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline (CID 138545662) is N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline.
What is the SMILES notation for N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline?
The canonical SMILES for N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline is CC(CN(C)c1ccccc1C(C)C)Oc1ccccc1C(C)C.
What is the InChIKey of N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline?
The InChIKey is HKAODIWVCGVLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-16(2)19-11-7-9-13-21(19)23(6)15-18(5)24-22-14-10-8-12-20(22)17(3)4/h7-14,16-18H,15H2,1-6H3.
What are the key properties of N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline?
N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline has a molecular weight of 325.50 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline is sourced from PubChem (CID 138545662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).