1-(N-ethyl-3-methylanilino)propan-1-ol

C12H19NO — CID 21331015

IUPAC1-(N-ethyl-3-methylanilino)propan-1-ol
SMILESCCC(O)N(CC)c1cccc(C)c1
InChIInChI=1S/C12H19NO/c1-4-12(14)13(5-2)11-8-6-7-10(3)9-11/h6-9,12,14H,4-5H2,1-3H3
InChIKeyFVNJANPMVABYEG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.55
Rot. Bonds4

About 1-(N-ethyl-3-methylanilino)propan-1-ol

1-(N-ethyl-3-methylanilino)propan-1-ol (PubChem CID 21331015) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(N-ethyl-3-methylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(N-ethyl-3-methylanilino)propan-1-ol
PubChem CID21331015
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(N-ethyl-3-methylanilino)propan-1-ol
SMILESCCC(O)N(CC)c1cccc(C)c1
InChIInChI=1S/C12H19NO/c1-4-12(14)13(5-2)11-8-6-7-10(3)9-11/h6-9,12,14H,4-5H2,1-3H3
InChIKeyFVNJANPMVABYEG-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
CID 82981948
1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427810
2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol
CID 82982263
2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55195045
N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632774
N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
CID 21484944
(N-ethyl-3-methylanilino)-phenylmethanesulfonic acid
CID 54298056
1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427985
4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide
CID 66428621
4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64825867
N-ethyl-3-methyl-N-[1-(2-methylphenoxy)ethyl]aniline
CID 70633322
N-[1-(N-ethyl-3-methylanilino)ethyl]methanesulfonamide
CID 101321416

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-3-methylanilino)propan-1-ol?
The IUPAC name of 1-(N-ethyl-3-methylanilino)propan-1-ol (CID 21331015) is 1-(N-ethyl-3-methylanilino)propan-1-ol.
What is the SMILES notation for 1-(N-ethyl-3-methylanilino)propan-1-ol?
The canonical SMILES for 1-(N-ethyl-3-methylanilino)propan-1-ol is CCC(O)N(CC)c1cccc(C)c1.
What is the InChIKey of 1-(N-ethyl-3-methylanilino)propan-1-ol?
The InChIKey is FVNJANPMVABYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-12(14)13(5-2)11-8-6-7-10(3)9-11/h6-9,12,14H,4-5H2,1-3H3.
What are the key properties of 1-(N-ethyl-3-methylanilino)propan-1-ol?
1-(N-ethyl-3-methylanilino)propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-3-methylanilino)propan-1-ol is sourced from PubChem (CID 21331015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).