N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine

C18H29NO — CID 116545086

IUPACN-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(CC2CCCCO2)NCC)c1
InChIInChI=1S/C18H29NO/c1-3-8-15-9-7-10-16(13-15)18(19-4-2)14-17-11-5-6-12-20-17/h7,9-10,13,17-19H,3-6,8,11-12,14H2,1-2H3
InChIKeyYWZKINZBTKBRKK-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.25
Rot. Bonds7

About N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine

N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine (PubChem CID 116545086) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine
PubChem CID116545086
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(CC2CCCCO2)NCC)c1
InChIInChI=1S/C18H29NO/c1-3-8-15-9-7-10-16(13-15)18(19-4-2)14-17-11-5-6-12-20-17/h7,9-10,13,17-19H,3-6,8,11-12,14H2,1-2H3
InChIKeyYWZKINZBTKBRKK-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine
CID 105050527
N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 105018534
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine
CID 116544464
N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine
CID 105188025
N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116545062
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462
1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550488
N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine
CID 104659878
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine (CID 116545086) is N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine is CCCc1cccc(C(CC2CCCCO2)NCC)c1.
What is the InChIKey of N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine?
The InChIKey is YWZKINZBTKBRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-8-15-9-7-10-16(13-15)18(19-4-2)14-17-11-5-6-12-20-17/h7,9-10,13,17-19H,3-6,8,11-12,14H2,1-2H3.
What are the key properties of N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine?
N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine is sourced from PubChem (CID 116545086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).