1-(2-methoxy-5-methylphenyl)undecan-1-amine

C19H33NO — CID 115845828

IUPAC1-(2-methoxy-5-methylphenyl)undecan-1-amine
SMILESCCCCCCCCCCC(N)c1cc(C)ccc1OC
InChIInChI=1S/C19H33NO/c1-4-5-6-7-8-9-10-11-12-18(20)17-15-16(2)13-14-19(17)21-3/h13-15,18H,4-12,20H2,1-3H3
InChIKeyRZYKKMNHYAOWSO-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.53
Rot. Bonds11

About 1-(2-methoxy-5-methylphenyl)undecan-1-amine

1-(2-methoxy-5-methylphenyl)undecan-1-amine (PubChem CID 115845828) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)undecan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)undecan-1-amine
PubChem CID115845828
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(2-methoxy-5-methylphenyl)undecan-1-amine
SMILESCCCCCCCCCCC(N)c1cc(C)ccc1OC
InChIInChI=1S/C19H33NO/c1-4-5-6-7-8-9-10-11-12-18(20)17-15-16(2)13-14-19(17)21-3/h13-15,18H,4-12,20H2,1-3H3
InChIKeyRZYKKMNHYAOWSO-UHFFFAOYSA-N
XLogP5.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-methoxy-5-methylphenyl)undecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-(2-methoxy-4-methylphenyl)undecan-1-amine
CID 106791391
1-(2-ethoxy-5-methylphenyl)octan-1-amine
CID 63505684
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
2-(1-chlorodecyl)-1-methoxy-4-methylbenzene
CID 65428310
1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
CID 43626415
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
CID 171216454
1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine
CID 107758540
1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)undecan-1-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)undecan-1-amine (CID 115845828) is 1-(2-methoxy-5-methylphenyl)undecan-1-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)undecan-1-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)undecan-1-amine is CCCCCCCCCCC(N)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)undecan-1-amine?
The InChIKey is RZYKKMNHYAOWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-4-5-6-7-8-9-10-11-12-18(20)17-15-16(2)13-14-19(17)21-3/h13-15,18H,4-12,20H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)undecan-1-amine?
1-(2-methoxy-5-methylphenyl)undecan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.53, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)undecan-1-amine is sourced from PubChem (CID 115845828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).