N-(1-phenylpropyl)-3-propoxyaniline

C18H23NO — CID 43693763

IUPACN-(1-phenylpropyl)-3-propoxyaniline
SMILESCCCOc1cccc(NC(CC)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-3-13-20-17-12-8-11-16(14-17)19-18(4-2)15-9-6-5-7-10-15/h5-12,14,18-19H,3-4,13H2,1-2H3
InChIKeyYVQUKVVOUPUEKE-UHFFFAOYSA-N
MW269.39 g/mol
LogP5.04
Rot. Bonds7

About N-(1-phenylpropyl)-3-propoxyaniline

N-(1-phenylpropyl)-3-propoxyaniline (PubChem CID 43693763) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(1-phenylpropyl)-3-propoxyaniline.

Molecular Properties

Compound NameN-(1-phenylpropyl)-3-propoxyaniline
PubChem CID43693763
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-(1-phenylpropyl)-3-propoxyaniline
SMILESCCCOc1cccc(NC(CC)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-3-13-20-17-12-8-11-16(14-17)19-18(4-2)15-9-6-5-7-10-15/h5-12,14,18-19H,3-4,13H2,1-2H3
InChIKeyYVQUKVVOUPUEKE-UHFFFAOYSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-propoxyanilino)propyl]phenol
CID 43693694
2-(1-phenylpropylamino)-N-(3-propoxyphenyl)acetamide
CID 54845702
N-(1-phenylbutan-2-yl)-3-propoxyaniline
CID 79008834
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
N-phenyl-3-propoxyaniline
CID 71334741
N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline
CID 63453492
N-[3-(3-methylbutoxy)phenyl]-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54808232
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
N-(2-ethylbutyl)-3-propoxyaniline
CID 43693684
3-N-(1-phenylpropyl)benzene-1,3-diamine
CID 55058097
3-(methoxymethyl)-N-(1-phenylpropyl)aniline
CID 43672251

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)-3-propoxyaniline?
The IUPAC name of N-(1-phenylpropyl)-3-propoxyaniline (CID 43693763) is N-(1-phenylpropyl)-3-propoxyaniline.
What is the SMILES notation for N-(1-phenylpropyl)-3-propoxyaniline?
The canonical SMILES for N-(1-phenylpropyl)-3-propoxyaniline is CCCOc1cccc(NC(CC)c2ccccc2)c1.
What is the InChIKey of N-(1-phenylpropyl)-3-propoxyaniline?
The InChIKey is YVQUKVVOUPUEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-13-20-17-12-8-11-16(14-17)19-18(4-2)15-9-6-5-7-10-15/h5-12,14,18-19H,3-4,13H2,1-2H3.
What are the key properties of N-(1-phenylpropyl)-3-propoxyaniline?
N-(1-phenylpropyl)-3-propoxyaniline has a molecular weight of 269.39 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)-3-propoxyaniline is sourced from PubChem (CID 43693763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).