1-(N-methyl-4-propoxyanilino)propan-1-ol

C13H21NO2 — CID 143420791

IUPAC1-(N-methyl-4-propoxyanilino)propan-1-ol
SMILESCCCOc1ccc(N(C)C(O)CC)cc1
InChIInChI=1S/C13H21NO2/c1-4-10-16-12-8-6-11(7-9-12)14(3)13(15)5-2/h6-9,13,15H,4-5,10H2,1-3H3
InChIKeyWCKHPDHPLAXBNV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.64
Rot. Bonds6

About 1-(N-methyl-4-propoxyanilino)propan-1-ol

1-(N-methyl-4-propoxyanilino)propan-1-ol (PubChem CID 143420791) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(N-methyl-4-propoxyanilino)propan-1-ol.

Molecular Properties

Compound Name1-(N-methyl-4-propoxyanilino)propan-1-ol
PubChem CID143420791
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(N-methyl-4-propoxyanilino)propan-1-ol
SMILESCCCOc1ccc(N(C)C(O)CC)cc1
InChIInChI=1S/C13H21NO2/c1-4-10-16-12-8-6-11(7-9-12)14(3)13(15)5-2/h6-9,13,15H,4-5,10H2,1-3H3
InChIKeyWCKHPDHPLAXBNV-UHFFFAOYSA-N
XLogP2.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-propoxyphenoxy)pentan-2-ol
CID 62041723
N-methyl-2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 98784031
3-amino-N-methyl-N-(4-propoxyphenyl)propanamide
CID 98784032
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
propan-2-ol;(4-propoxyphenyl)boronic acid
CID 159466801
5-amino-2-(4-propoxyphenyl)heptan-4-ol
CID 83932372
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
4-hexoxy-N,N-dimethylaniline
CID 19782341
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-propoxyphenyl)prop-2-yn-1-ol
CID 18175407

Frequently Asked Questions

What is the IUPAC name of 1-(N-methyl-4-propoxyanilino)propan-1-ol?
The IUPAC name of 1-(N-methyl-4-propoxyanilino)propan-1-ol (CID 143420791) is 1-(N-methyl-4-propoxyanilino)propan-1-ol.
What is the SMILES notation for 1-(N-methyl-4-propoxyanilino)propan-1-ol?
The canonical SMILES for 1-(N-methyl-4-propoxyanilino)propan-1-ol is CCCOc1ccc(N(C)C(O)CC)cc1.
What is the InChIKey of 1-(N-methyl-4-propoxyanilino)propan-1-ol?
The InChIKey is WCKHPDHPLAXBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-10-16-12-8-6-11(7-9-12)14(3)13(15)5-2/h6-9,13,15H,4-5,10H2,1-3H3.
What are the key properties of 1-(N-methyl-4-propoxyanilino)propan-1-ol?
1-(N-methyl-4-propoxyanilino)propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-methyl-4-propoxyanilino)propan-1-ol is sourced from PubChem (CID 143420791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).