3-(N-propylanilino)propan-1-ol

C12H19NO — CID 101291000

IUPAC3-(N-propylanilino)propan-1-ol
SMILESCCCN(CCCO)c1ccccc1
InChIInChI=1S/C12H19NO/c1-2-9-13(10-6-11-14)12-7-4-3-5-8-12/h3-5,7-8,14H,2,6,9-11H2,1H3
InChIKeyMLWFUUTUUBBUBF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.29
Rot. Bonds6

About 3-(N-propylanilino)propan-1-ol

3-(N-propylanilino)propan-1-ol (PubChem CID 101291000) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(N-propylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(N-propylanilino)propan-1-ol
PubChem CID101291000
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(N-propylanilino)propan-1-ol
SMILESCCCN(CCCO)c1ccccc1
InChIInChI=1S/C12H19NO/c1-2-9-13(10-6-11-14)12-7-4-3-5-8-12/h3-5,7-8,14H,2,6,9-11H2,1H3
InChIKeyMLWFUUTUUBBUBF-UHFFFAOYSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N,N-di(nonyl)aniline
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N-heptyl-N-pentylaniline
CID 154378615
2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide
CID 111859978
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol
CID 111860036
6-[N-(3-aminopropyl)anilino]hexan-1-ol
CID 107702923
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
N-benzyl-N-propylaniline
CID 14671265
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424

Frequently Asked Questions

What is the IUPAC name of 3-(N-propylanilino)propan-1-ol?
The IUPAC name of 3-(N-propylanilino)propan-1-ol (CID 101291000) is 3-(N-propylanilino)propan-1-ol.
What is the SMILES notation for 3-(N-propylanilino)propan-1-ol?
The canonical SMILES for 3-(N-propylanilino)propan-1-ol is CCCN(CCCO)c1ccccc1.
What is the InChIKey of 3-(N-propylanilino)propan-1-ol?
The InChIKey is MLWFUUTUUBBUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-9-13(10-6-11-14)12-7-4-3-5-8-12/h3-5,7-8,14H,2,6,9-11H2,1H3.
What are the key properties of 3-(N-propylanilino)propan-1-ol?
3-(N-propylanilino)propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-propylanilino)propan-1-ol is sourced from PubChem (CID 101291000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).