N-(1-phenylbutan-2-yl)-3-propoxyaniline

C19H25NO — CID 79008834

IUPACN-(1-phenylbutan-2-yl)-3-propoxyaniline
SMILESCCCOc1cccc(NC(CC)Cc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-3-13-21-19-12-8-11-18(15-19)20-17(4-2)14-16-9-6-5-7-10-16/h5-12,15,17,20H,3-4,13-14H2,1-2H3
InChIKeyTVPQJNJSCYVJOL-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.91
Rot. Bonds8

About N-(1-phenylbutan-2-yl)-3-propoxyaniline

N-(1-phenylbutan-2-yl)-3-propoxyaniline (PubChem CID 79008834) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(1-phenylbutan-2-yl)-3-propoxyaniline.

Molecular Properties

Compound NameN-(1-phenylbutan-2-yl)-3-propoxyaniline
PubChem CID79008834
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-(1-phenylbutan-2-yl)-3-propoxyaniline
SMILESCCCOc1cccc(NC(CC)Cc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-3-13-21-19-12-8-11-18(15-19)20-17(4-2)14-16-9-6-5-7-10-16/h5-12,15,17,20H,3-4,13-14H2,1-2H3
InChIKeyTVPQJNJSCYVJOL-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylpropyl)-3-propoxyaniline
CID 43693763
N-phenyl-3-propoxyaniline
CID 71334741
3-fluoro-N-(1-phenylbutan-2-yl)aniline
CID 79007275
3-(2-methoxyethoxy)-N-pentan-3-ylaniline
CID 54864774
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882
2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine
CID 65376487
1-(1-bromo-2-phenylethyl)-3-propoxybenzene
CID 63529881
N-(2-ethylbutyl)-3-propoxyaniline
CID 43693684
N-heptan-2-yl-3-propoxyaniline
CID 43693607
4-[1-(3-propoxyanilino)propyl]phenol
CID 43693694
1-phenyl-3-(3-propoxyphenyl)thiourea
CID 17096649
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutan-2-yl)-3-propoxyaniline?
The IUPAC name of N-(1-phenylbutan-2-yl)-3-propoxyaniline (CID 79008834) is N-(1-phenylbutan-2-yl)-3-propoxyaniline.
What is the SMILES notation for N-(1-phenylbutan-2-yl)-3-propoxyaniline?
The canonical SMILES for N-(1-phenylbutan-2-yl)-3-propoxyaniline is CCCOc1cccc(NC(CC)Cc2ccccc2)c1.
What is the InChIKey of N-(1-phenylbutan-2-yl)-3-propoxyaniline?
The InChIKey is TVPQJNJSCYVJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-13-21-19-12-8-11-18(15-19)20-17(4-2)14-16-9-6-5-7-10-16/h5-12,15,17,20H,3-4,13-14H2,1-2H3.
What are the key properties of N-(1-phenylbutan-2-yl)-3-propoxyaniline?
N-(1-phenylbutan-2-yl)-3-propoxyaniline has a molecular weight of 283.42 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutan-2-yl)-3-propoxyaniline is sourced from PubChem (CID 79008834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).