N-(2-phenoxypropyl)-2-propan-2-ylaniline

C18H23NO — CID 54800400

IUPACN-(2-phenoxypropyl)-2-propan-2-ylaniline
SMILESCC(CNc1ccccc1C(C)C)Oc1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)17-11-7-8-12-18(17)19-13-15(3)20-16-9-5-4-6-10-16/h4-12,14-15,19H,13H2,1-3H3
InChIKeyCZVQJAZDSJIALB-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.69
Rot. Bonds6

About N-(2-phenoxypropyl)-2-propan-2-ylaniline

N-(2-phenoxypropyl)-2-propan-2-ylaniline (PubChem CID 54800400) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-phenoxypropyl)-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-(2-phenoxypropyl)-2-propan-2-ylaniline
PubChem CID54800400
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-(2-phenoxypropyl)-2-propan-2-ylaniline
SMILESCC(CNc1ccccc1C(C)C)Oc1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)17-11-7-8-12-18(17)19-13-15(3)20-16-9-5-4-6-10-16/h4-12,14-15,19H,13H2,1-3H3
InChIKeyCZVQJAZDSJIALB-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenoxyethyl)-2-propan-2-ylaniline
CID 39357817
N-(2,3-dimethylbutyl)-2-propan-2-ylaniline
CID 150228795
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine
CID 54795940
1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol
CID 106989088
N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline
CID 54800392
N-(2-phenoxypropyl)butan-2-amine
CID 54802133
N-(2-chloroethyl)-2-propan-2-ylaniline
CID 82112244
2-(2-propan-2-ylanilino)ethanol
CID 28574084
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate
CID 2385789
2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline
CID 54797800
2-methyl-1-(2-propan-2-ylanilino)propan-2-ol
CID 39241882

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxypropyl)-2-propan-2-ylaniline?
The IUPAC name of N-(2-phenoxypropyl)-2-propan-2-ylaniline (CID 54800400) is N-(2-phenoxypropyl)-2-propan-2-ylaniline.
What is the SMILES notation for N-(2-phenoxypropyl)-2-propan-2-ylaniline?
The canonical SMILES for N-(2-phenoxypropyl)-2-propan-2-ylaniline is CC(CNc1ccccc1C(C)C)Oc1ccccc1.
What is the InChIKey of N-(2-phenoxypropyl)-2-propan-2-ylaniline?
The InChIKey is CZVQJAZDSJIALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)17-11-7-8-12-18(17)19-13-15(3)20-16-9-5-4-6-10-16/h4-12,14-15,19H,13H2,1-3H3.
What are the key properties of N-(2-phenoxypropyl)-2-propan-2-ylaniline?
N-(2-phenoxypropyl)-2-propan-2-ylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxypropyl)-2-propan-2-ylaniline is sourced from PubChem (CID 54800400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).