3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine

C18H31NO — CID 65304249

IUPAC3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine
SMILESCCCNCCC(C)CCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-5-13-19-14-12-16(4)6-7-17-8-10-18(11-9-17)20-15(2)3/h8-11,15-16,19H,5-7,12-14H2,1-4H3
InChIKeyFCAGRHPATIVCHM-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.43
Rot. Bonds10

About 3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine

3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine (PubChem CID 65304249) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine
PubChem CID65304249
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine
SMILESCCCNCCC(C)CCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-5-13-19-14-12-16(4)6-7-17-8-10-18(11-9-17)20-15(2)3/h8-11,15-16,19H,5-7,12-14H2,1-4H3
InChIKeyFCAGRHPATIVCHM-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine
CID 115203390
N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304300
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylpropan-1-amine
CID 64664347
2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 116924949
3-[2-(4-propan-2-yloxyphenyl)ethylamino]propane-1-thiol
CID 115225125
N-ethyl-5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 65300939
2-methyl-4-(4-methylphenyl)-N-propylbutan-1-amine
CID 64664775
2-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-3-propylguanidine
CID 111227199
2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol
CID 115251014
3-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 114996289
4-(4-but-3-en-2-yloxyphenyl)-N-propylbutan-2-amine
CID 62389850
3-methyl-1-N-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,3-diamine
CID 115200801

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine?
The IUPAC name of 3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine (CID 65304249) is 3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine is CCCNCCC(C)CCc1ccc(OC(C)C)cc1.
What is the InChIKey of 3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine?
The InChIKey is FCAGRHPATIVCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-13-19-14-12-16(4)6-7-17-8-10-18(11-9-17)20-15(2)3/h8-11,15-16,19H,5-7,12-14H2,1-4H3.
What are the key properties of 3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine?
3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 65304249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).