N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine

C18H29NO — CID 65164597

IUPACN-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
SMILESCCNC(CCCC1CCCO1)Cc1cccc(C)c1
InChIInChI=1S/C18H29NO/c1-3-19-17(9-5-10-18-11-6-12-20-18)14-16-8-4-7-15(2)13-16/h4,7-8,13,17-19H,3,5-6,9-12,14H2,1-2H3
InChIKeyTUWOPXMRRADAAT-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.86
Rot. Bonds8

About N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine

N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine (PubChem CID 65164597) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
PubChem CID65164597
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
SMILESCCNC(CCCC1CCCO1)Cc1cccc(C)c1
InChIInChI=1S/C18H29NO/c1-3-19-17(9-5-10-18-11-6-12-20-18)14-16-8-4-7-15(2)13-16/h4,7-8,13,17-19H,3,5-6,9-12,14H2,1-2H3
InChIKeyTUWOPXMRRADAAT-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993079
1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 63951958
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136
2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine
CID 65166119
N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66087004
1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
CID 60820403
N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine
CID 65164198
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 115818461
1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164657
N-[2-(3-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163255
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 105050994

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine (CID 65164597) is N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine is CCNC(CCCC1CCCO1)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine?
The InChIKey is TUWOPXMRRADAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-19-17(9-5-10-18-11-6-12-20-18)14-16-8-4-7-15(2)13-16/h4,7-8,13,17-19H,3,5-6,9-12,14H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine?
N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 65164597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).