N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine

C19H31NO — CID 104992984

IUPACN-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine
SMILESCCNC(CCCC1CCCO1)C(CC)c1ccccc1
InChIInChI=1S/C19H31NO/c1-3-18(16-10-6-5-7-11-16)19(20-4-2)14-8-12-17-13-9-15-21-17/h5-7,10-11,17-20H,3-4,8-9,12-15H2,1-2H3
InChIKeyDLUXHMFFGQMWQU-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.51
Rot. Bonds9

About N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine

N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine (PubChem CID 104992984) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine
PubChem CID104992984
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine
SMILESCCNC(CCCC1CCCO1)C(CC)c1ccccc1
InChIInChI=1S/C19H31NO/c1-3-18(16-10-6-5-7-11-16)19(20-4-2)14-8-12-17-13-9-15-21-17/h5-7,10-11,17-20H,3-4,8-9,12-15H2,1-2H3
InChIKeyDLUXHMFFGQMWQU-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-yl)-4-phenylhexan-3-amine
CID 104993677
N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine
CID 65164198
N-methyl-5-(oxolan-2-yl)-2-phenylpentan-1-amine
CID 65431144
1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine
CID 116773427
N-ethyl-3-phenylheptan-4-amine
CID 83051533
6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298
N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167283
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine
CID 102923511
1-methoxy-5-(oxolan-2-yl)-1-phenylpentan-2-ol
CID 116756915
1-(3,4-dichlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 81492098
1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine
CID 105049307

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine?
The IUPAC name of N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine (CID 104992984) is N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine.
What is the SMILES notation for N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine?
The canonical SMILES for N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine is CCNC(CCCC1CCCO1)C(CC)c1ccccc1.
What is the InChIKey of N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine?
The InChIKey is DLUXHMFFGQMWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-18(16-10-6-5-7-11-16)19(20-4-2)14-8-12-17-13-9-15-21-17/h5-7,10-11,17-20H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine?
N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine has a molecular weight of 289.46 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine is sourced from PubChem (CID 104992984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).