5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol

C17H30N2O2 — CID 64790140

IUPAC5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(C)c1ccc(OC)cc1
InChIInChI=1S/C17H30N2O2/c1-5-12-18-17(2,14-20)11-6-13-19(3)15-7-9-16(21-4)10-8-15/h7-10,18,20H,5-6,11-14H2,1-4H3
InChIKeyHQYBGDGEQNJVLW-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.66
Rot. Bonds10

About 5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol

5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64790140) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64790140
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(C)c1ccc(OC)cc1
InChIInChI=1S/C17H30N2O2/c1-5-12-18-17(2,14-20)11-6-13-19(3)15-7-9-16(21-4)10-8-15/h7-10,18,20H,5-6,11-14H2,1-4H3
InChIKeyHQYBGDGEQNJVLW-UHFFFAOYSA-N
XLogP2.66
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790325
4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol
CID 61056815
5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64789948
1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol
CID 64821862
5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64795890
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol
CID 64791309
5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64790514
2-methyl-5-[methyl(4-methylpentan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64827986
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
CID 64803943
5-[ethyl(2-methoxyethyl)amino]-2-methyl-2-(propylamino)pentan-1-ol
CID 64825355
2-methyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64796845

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol (CID 64790140) is 5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCN(C)c1ccc(OC)cc1.
What is the InChIKey of 5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is HQYBGDGEQNJVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-12-18-17(2,14-20)11-6-13-19(3)15-7-9-16(21-4)10-8-15/h7-10,18,20H,5-6,11-14H2,1-4H3.
What are the key properties of 5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64790140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).