1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine

C17H27NO — CID 55013993

IUPAC1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine
SMILESCCc1ccc(C(CC)NCC2CCCCO2)cc1
InChIInChI=1S/C17H27NO/c1-3-14-8-10-15(11-9-14)17(4-2)18-13-16-7-5-6-12-19-16/h8-11,16-18H,3-7,12-13H2,1-2H3
InChIKeyKGMYBHZMCMJDLS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.86
Rot. Bonds6

About 1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine

1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine (PubChem CID 55013993) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine
PubChem CID55013993
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine
SMILESCCc1ccc(C(CC)NCC2CCCCO2)cc1
InChIInChI=1S/C17H27NO/c1-3-14-8-10-15(11-9-14)17(4-2)18-13-16-7-5-6-12-19-16/h8-11,16-18H,3-7,12-13H2,1-2H3
InChIKeyKGMYBHZMCMJDLS-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
CID 55014326
1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 43310101
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 61050569
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol
CID 103271372
1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
CID 82100237
1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014093
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785864
1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43111276
N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362830
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine
CID 63477593
(1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine
CID 94380091

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine (CID 55013993) is 1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine is CCc1ccc(C(CC)NCC2CCCCO2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine?
The InChIKey is KGMYBHZMCMJDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14-8-10-15(11-9-14)17(4-2)18-13-16-7-5-6-12-19-16/h8-11,16-18H,3-7,12-13H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine?
1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 55013993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).