N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine

C18H29NO2 — CID 80685124

IUPACN-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OCC)c1)C1(C)CCCCO1
InChIInChI=1S/C18H29NO2/c1-4-12-19-17(18(3)11-6-7-13-21-18)15-9-8-10-16(14-15)20-5-2/h8-10,14,17,19H,4-7,11-13H2,1-3H3
InChIKeyBVWQFRBYFYRUTO-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.09
Rot. Bonds7

About N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine

N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine (PubChem CID 80685124) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
PubChem CID80685124
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OCC)c1)C1(C)CCCCO1
InChIInChI=1S/C18H29NO2/c1-4-12-19-17(18(3)11-6-7-13-21-18)15-9-8-10-16(14-15)20-5-2/h8-10,14,17,19H,4-7,11-13H2,1-3H3
InChIKeyBVWQFRBYFYRUTO-UHFFFAOYSA-N
XLogP4.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80684788
1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105022410
N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80684973
[(2-methyloxan-2-yl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105256191
N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 82771870
N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine
CID 116544913
2-(3-ethoxyphenyl)-2-(propylamino)ethanol
CID 61056607
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 114730077
2-(3-ethoxyphenyl)-2-(propylamino)acetonitrile
CID 60873158
N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 63947558
N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 105395284

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine (CID 80685124) is N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine is CCCNC(c1cccc(OCC)c1)C1(C)CCCCO1.
What is the InChIKey of N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine?
The InChIKey is BVWQFRBYFYRUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-12-19-17(18(3)11-6-7-13-21-18)15-9-8-10-16(14-15)20-5-2/h8-10,14,17,19H,4-7,11-13H2,1-3H3.
What are the key properties of N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine?
N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 80685124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).