5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol

C17H30N2O2 — CID 64790325

IUPAC5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(C)c1cccc(OC)c1
InChIInChI=1S/C17H30N2O2/c1-5-11-18-17(2,14-20)10-7-12-19(3)15-8-6-9-16(13-15)21-4/h6,8-9,13,18,20H,5,7,10-12,14H2,1-4H3
InChIKeyCCNZJDGZMONYOH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.66
Rot. Bonds10

About 5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol

5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64790325) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64790325
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(C)c1cccc(OC)c1
InChIInChI=1S/C17H30N2O2/c1-5-11-18-17(2,14-20)10-7-12-19(3)15-8-6-9-16(13-15)21-4/h6,8-9,13,18,20H,5,7,10-12,14H2,1-4H3
InChIKeyCCNZJDGZMONYOH-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

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Related Compounds

5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790140
4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
CID 64789526
5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64789948
5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64828310
5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64795890
1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol
CID 64819164
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
2-(3-methoxyanilino)-2-methylheptan-1-ol
CID 80558936
N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 64811409
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
CID 64803943
4-(3-methoxy-N-methylanilino)butanehydrazide
CID 63583591

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol (CID 64790325) is 5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCN(C)c1cccc(OC)c1.
What is the InChIKey of 5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is CCNZJDGZMONYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-11-18-17(2,14-20)10-7-12-19(3)15-8-6-9-16(13-15)21-4/h6,8-9,13,18,20H,5,7,10-12,14H2,1-4H3.
What are the key properties of 5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol?
5-(3-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-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64790325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).