1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine

C18H32N2O — CID 62133905

IUPAC1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CN)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H32N2O/c1-6-7-8-11-20(14(2)3)17(13-19)16-9-10-18(21-5)15(4)12-16/h9-10,12,14,17H,6-8,11,13,19H2,1-5H3
InChIKeyVDWVQAPYNJULCB-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.90
Rot. Bonds9

About 1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine

1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 62133905) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
PubChem CID62133905
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CN)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H32N2O/c1-6-7-8-11-20(14(2)3)17(13-19)16-9-10-18(21-5)15(4)12-16/h9-10,12,14,17H,6-8,11,13,19H2,1-5H3
InChIKeyVDWVQAPYNJULCB-UHFFFAOYSA-N
XLogP3.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 63473286
1-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948862
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983095
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 55001862
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62132615
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
1-(3,5-dimethoxyphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269422
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
(1S,2R)-1-amino-1-(4-methoxy-3-methylphenyl)hexan-2-ol
CID 171270776
1-(3-chloro-5-fluorophenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 114453335
N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 62132256

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine (CID 62133905) is 1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine is CCCCCN(C(C)C)C(CN)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is VDWVQAPYNJULCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-7-8-11-20(14(2)3)17(13-19)16-9-10-18(21-5)15(4)12-16/h9-10,12,14,17H,6-8,11,13,19H2,1-5H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62133905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).