N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine

C18H29NO2 — CID 80684973

IUPACN-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1)C1(C)CCCCO1
InChIInChI=1S/C18H29NO2/c1-4-11-19-17(18(2)10-5-6-12-21-18)14-15-8-7-9-16(13-15)20-3/h7-9,13,17,19H,4-6,10-12,14H2,1-3H3
InChIKeyAERTWQOKQGGSHF-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.57
Rot. Bonds7

About N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine

N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine (PubChem CID 80684973) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
PubChem CID80684973
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC NameN-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1)C1(C)CCCCO1
InChIInChI=1S/C18H29NO2/c1-4-11-19-17(18(2)10-5-6-12-21-18)14-15-8-7-9-16(13-15)20-3/h7-9,13,17,19H,4-6,10-12,14H2,1-3H3
InChIKeyAERTWQOKQGGSHF-UHFFFAOYSA-N
XLogP3.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methoxycyclobutyl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 116714829
2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80685196
N-[2-(4-ethylphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80685283
N-[1-(2-methyloxolan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736619
N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 80685111
N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 107885030
1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 80684951
N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80685124
[2-(3-methoxyphenyl)-1-(1-methylcyclopentyl)ethyl]hydrazine
CID 105295319
N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 66475186
N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106827637
N-[2-(3-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763420

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine (CID 80684973) is N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(OC)c1)C1(C)CCCCO1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine?
The InChIKey is AERTWQOKQGGSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-11-19-17(18(2)10-5-6-12-21-18)14-15-8-7-9-16(13-15)20-3/h7-9,13,17,19H,4-6,10-12,14H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine?
N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine has a molecular weight of 291.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 80684973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).