N-phenyl-3-propoxyaniline

C15H17NO — CID 71334741

IUPACN-phenyl-3-propoxyaniline
SMILESCCCOc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C15H17NO/c1-2-11-17-15-10-6-9-14(12-15)16-13-7-4-3-5-8-13/h3-10,12,16H,2,11H2,1H3
InChIKeyBXSGWVKHMJIWNI-UHFFFAOYSA-N
MW227.31 g/mol
LogP4.22
Rot. Bonds5

About N-phenyl-3-propoxyaniline

N-phenyl-3-propoxyaniline (PubChem CID 71334741) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-phenyl-3-propoxyaniline.

Molecular Properties

Compound NameN-phenyl-3-propoxyaniline
PubChem CID71334741
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-phenyl-3-propoxyaniline
SMILESCCCOc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C15H17NO/c1-2-11-17-15-10-6-9-14(12-15)16-13-7-4-3-5-8-13/h3-10,12,16H,2,11H2,1H3
InChIKeyBXSGWVKHMJIWNI-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
3-hexoxy-N-(4-phenylphenyl)aniline
CID 90222153
2-(3-propoxyanilino)benzoic acid
CID 154130973
1-phenyl-3-(3-propoxyphenyl)thiourea
CID 17096649
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
N-(1-phenylpropyl)-3-propoxyaniline
CID 43693763
N-(1-phenylbutan-2-yl)-3-propoxyaniline
CID 79008834
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
CID 54805927

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-propoxyaniline?
The IUPAC name of N-phenyl-3-propoxyaniline (CID 71334741) is N-phenyl-3-propoxyaniline.
What is the SMILES notation for N-phenyl-3-propoxyaniline?
The canonical SMILES for N-phenyl-3-propoxyaniline is CCCOc1cccc(Nc2ccccc2)c1.
What is the InChIKey of N-phenyl-3-propoxyaniline?
The InChIKey is BXSGWVKHMJIWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-11-17-15-10-6-9-14(12-15)16-13-7-4-3-5-8-13/h3-10,12,16H,2,11H2,1H3.
What are the key properties of N-phenyl-3-propoxyaniline?
N-phenyl-3-propoxyaniline has a molecular weight of 227.31 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-propoxyaniline is sourced from PubChem (CID 71334741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).