3-(3-methoxyphenoxy)-N,N-dimethylaniline

C15H17NO2 — CID 138490404

IUPAC3-(3-methoxyphenoxy)-N,N-dimethylaniline
SMILESCOc1cccc(Oc2cccc(N(C)C)c2)c1
InChIInChI=1S/C15H17NO2/c1-16(2)12-6-4-8-14(10-12)18-15-9-5-7-13(11-15)17-3/h4-11H,1-3H3
InChIKeyBTRLIDQQEMFCOK-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.55
Rot. Bonds4

About 3-(3-methoxyphenoxy)-N,N-dimethylaniline

3-(3-methoxyphenoxy)-N,N-dimethylaniline (PubChem CID 138490404) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(3-methoxyphenoxy)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(3-methoxyphenoxy)-N,N-dimethylaniline
PubChem CID138490404
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(3-methoxyphenoxy)-N,N-dimethylaniline
SMILESCOc1cccc(Oc2cccc(N(C)C)c2)c1
InChIInChI=1S/C15H17NO2/c1-16(2)12-6-4-8-14(10-12)18-15-9-5-7-13(11-15)17-3/h4-11H,1-3H3
InChIKeyBTRLIDQQEMFCOK-UHFFFAOYSA-N
XLogP3.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 89046788
2-[3-(dimethylamino)phenoxy]-4-methoxybenzoic acid
CID 81300432
3-methoxy-N,N-disilylaniline
CID 149149494
3-[3-(dimethylamino)phenoxy]benzonitrile
CID 102818049
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
CID 172849383
CID 172849383
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine
CID 110455032

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenoxy)-N,N-dimethylaniline?
The IUPAC name of 3-(3-methoxyphenoxy)-N,N-dimethylaniline (CID 138490404) is 3-(3-methoxyphenoxy)-N,N-dimethylaniline.
What is the SMILES notation for 3-(3-methoxyphenoxy)-N,N-dimethylaniline?
The canonical SMILES for 3-(3-methoxyphenoxy)-N,N-dimethylaniline is COc1cccc(Oc2cccc(N(C)C)c2)c1.
What is the InChIKey of 3-(3-methoxyphenoxy)-N,N-dimethylaniline?
The InChIKey is BTRLIDQQEMFCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16(2)12-6-4-8-14(10-12)18-15-9-5-7-13(11-15)17-3/h4-11H,1-3H3.
What are the key properties of 3-(3-methoxyphenoxy)-N,N-dimethylaniline?
3-(3-methoxyphenoxy)-N,N-dimethylaniline has a molecular weight of 243.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenoxy)-N,N-dimethylaniline is sourced from PubChem (CID 138490404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).