2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine

C19H31NO — CID 79424185

IUPAC2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNCC(CCCC1CCCO1)c1ccccc1C
InChIInChI=1S/C19H31NO/c1-3-13-20-15-17(19-12-5-4-8-16(19)2)9-6-10-18-11-7-14-21-18/h4-5,8,12,17-18,20H,3,6-7,9-11,13-15H2,1-2H3
InChIKeyNHUIIODLPBAJNJ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.43
Rot. Bonds9

About 2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine

2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine (PubChem CID 79424185) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
PubChem CID79424185
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNCC(CCCC1CCCO1)c1ccccc1C
InChIInChI=1S/C19H31NO/c1-3-13-20-15-17(19-12-5-4-8-16(19)2)9-6-10-18-11-7-14-21-18/h4-5,8,12,17-18,20H,3,6-7,9-11,13-15H2,1-2H3
InChIKeyNHUIIODLPBAJNJ-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
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-(4-chlorophenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 79432124
N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79424138
N-methyl-5-(oxolan-2-yl)-2-phenylpentan-1-amine
CID 65431144
N-[(1S)-1-(2-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81374337
2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79421800
2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid
CID 79421580
2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 79437798
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796
[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314004
1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 104993224
2-[4-(2-bromophenyl)-5-chloropentyl]oxolane
CID 79454100

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine (CID 79424185) is 2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine is CCCNCC(CCCC1CCCO1)c1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine?
The InChIKey is NHUIIODLPBAJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-13-20-15-17(19-12-5-4-8-16(19)2)9-6-10-18-11-7-14-21-18/h4-5,8,12,17-18,20H,3,6-7,9-11,13-15H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine?
2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 79424185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).