N-(3-phenylcyclobutyl)-3-propoxyaniline

C19H23NO — CID 43693771

IUPACN-(3-phenylcyclobutyl)-3-propoxyaniline
SMILESCCCOc1cccc(NC2CC(c3ccccc3)C2)c1
InChIInChI=1S/C19H23NO/c1-2-11-21-19-10-6-9-17(14-19)20-18-12-16(13-18)15-7-4-3-5-8-15/h3-10,14,16,18,20H,2,11-13H2,1H3
InChIKeyRWPJIFUMWQMXRB-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.83
Rot. Bonds6

About N-(3-phenylcyclobutyl)-3-propoxyaniline

N-(3-phenylcyclobutyl)-3-propoxyaniline (PubChem CID 43693771) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3-phenylcyclobutyl)-3-propoxyaniline.

Molecular Properties

Compound NameN-(3-phenylcyclobutyl)-3-propoxyaniline
PubChem CID43693771
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(3-phenylcyclobutyl)-3-propoxyaniline
SMILESCCCOc1cccc(NC2CC(c3ccccc3)C2)c1
InChIInChI=1S/C19H23NO/c1-2-11-21-19-10-6-9-17(14-19)20-18-12-16(13-18)15-7-4-3-5-8-15/h3-10,14,16,18,20H,2,11-13H2,1H3
InChIKeyRWPJIFUMWQMXRB-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylcyclopentyl)-3-propoxyaniline
CID 64501066
1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine
CID 79458462
tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate
CID 103759438
1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine
CID 43693787
N-phenyl-3-propoxyaniline
CID 71334741
N-(3-propoxyphenyl)azepan-4-amine
CID 103981177
3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753647
N-[3-(2-bromophenyl)cyclobutyl]-3-ethoxyaniline
CID 63452973
1,1-dioxo-N-(3-propoxyphenyl)thian-3-amine
CID 63909303
[3-[(3-phenylcyclobutyl)amino]phenyl]methanol
CID 43715189
N-(3-propoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43783332
N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43693706

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylcyclobutyl)-3-propoxyaniline?
The IUPAC name of N-(3-phenylcyclobutyl)-3-propoxyaniline (CID 43693771) is N-(3-phenylcyclobutyl)-3-propoxyaniline.
What is the SMILES notation for N-(3-phenylcyclobutyl)-3-propoxyaniline?
The canonical SMILES for N-(3-phenylcyclobutyl)-3-propoxyaniline is CCCOc1cccc(NC2CC(c3ccccc3)C2)c1.
What is the InChIKey of N-(3-phenylcyclobutyl)-3-propoxyaniline?
The InChIKey is RWPJIFUMWQMXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-11-21-19-10-6-9-17(14-19)20-18-12-16(13-18)15-7-4-3-5-8-15/h3-10,14,16,18,20H,2,11-13H2,1H3.
What are the key properties of N-(3-phenylcyclobutyl)-3-propoxyaniline?
N-(3-phenylcyclobutyl)-3-propoxyaniline has a molecular weight of 281.40 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylcyclobutyl)-3-propoxyaniline is sourced from PubChem (CID 43693771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).