N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine

C17H27NO — CID 107139020

IUPACN-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1CC)C1CCCOC1
InChIInChI=1S/C17H27NO/c1-3-11-18-17(15-9-7-12-19-13-15)16-10-6-5-8-14(16)4-2/h5-6,8,10,15,17-18H,3-4,7,9,11-13H2,1-2H3
InChIKeyJNNJMXYMXMAPJB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.72
Rot. Bonds6

About N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine

N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine (PubChem CID 107139020) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
PubChem CID107139020
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1CC)C1CCCOC1
InChIInChI=1S/C17H27NO/c1-3-11-18-17(15-9-7-12-19-13-15)16-10-6-5-8-14(16)4-2/h5-6,8,10,15,17-18H,3-4,7,9,11-13H2,1-2H3
InChIKeyJNNJMXYMXMAPJB-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139167
N-[oxan-3-yl(quinolin-4-yl)methyl]propan-1-amine
CID 107138702
N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 104992292
N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
N-[(5-fluoro-2-methylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 65333512
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63013091
N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63010878
N-[(5-bromo-2-chlorophenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107138915
N-[(1,1-dioxothiolan-3-yl)-(2-ethylphenyl)methyl]propan-1-amine
CID 62390710
N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330313
N-[(4-methylsulfanylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107137025
N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107136775

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine (CID 107139020) is N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine is CCCNC(c1ccccc1CC)C1CCCOC1.
What is the InChIKey of N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine?
The InChIKey is JNNJMXYMXMAPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-11-18-17(15-9-7-12-19-13-15)16-10-6-5-8-14(16)4-2/h5-6,8,10,15,17-18H,3-4,7,9,11-13H2,1-2H3.
What are the key properties of N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine?
N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 107139020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).