N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine

C17H27NO2 — CID 103930663

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine
SMILESCOc1cccc(CCNC2CCOC(C(C)C)C2)c1
InChIInChI=1S/C17H27NO2/c1-13(2)17-12-15(8-10-20-17)18-9-7-14-5-4-6-16(11-14)19-3/h4-6,11,13,15,17-18H,7-10,12H2,1-3H3
InChIKeyVWCXVCSVHWDPFW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine

N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine (PubChem CID 103930663) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine
PubChem CID103930663
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine
SMILESCOc1cccc(CCNC2CCOC(C(C)C)C2)c1
InChIInChI=1S/C17H27NO2/c1-13(2)17-12-15(8-10-20-17)18-9-7-14-5-4-6-16(11-14)19-3/h4-6,11,13,15,17-18H,7-10,12H2,1-3H3
InChIKeyVWCXVCSVHWDPFW-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine
CID 103920471
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 103698599
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618
N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine
CID 107850113
N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-yloxan-4-amine
CID 103897258
N-[2-(3-methoxyphenyl)ethyl]-1,1-dioxothian-3-amine
CID 103913830
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
1-ethyl-N-[2-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 107850209
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
2-cyclopentyl-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110355667

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine (CID 103930663) is N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine is COc1cccc(CCNC2CCOC(C(C)C)C2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine?
The InChIKey is VWCXVCSVHWDPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)17-12-15(8-10-20-17)18-9-7-14-5-4-6-16(11-14)19-3/h4-6,11,13,15,17-18H,7-10,12H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine?
N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 103930663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).