1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine

C16H25NO2 — CID 114519800

IUPAC1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(c1ccc(OC2CC2)cc1)C(OC)C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)16(18-4)15(17-3)12-5-7-13(8-6-12)19-14-9-10-14/h5-8,11,14-17H,9-10H2,1-4H3
InChIKeyWUFRJKOKQZBNKC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds7

About 1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine

1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 114519800) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
PubChem CID114519800
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(c1ccc(OC2CC2)cc1)C(OC)C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)16(18-4)15(17-3)12-5-7-13(8-6-12)19-14-9-10-14/h5-8,11,14-17H,9-10H2,1-4H3
InChIKeyWUFRJKOKQZBNKC-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N,3-dimethyl-1-(4-phenylphenyl)butan-1-amine
CID 116720033
1-(4-cyclobutyloxyphenyl)-N-methylethanamine
CID 62139894
(1R)-1-(4-cyclopentyloxyphenyl)-N-methylethanamine
CID 93007238
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
2-methoxy-1-(3-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116719987
1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720003
1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol
CID 114519159
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114519571
1-(4-cyclopropyloxyphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 105051420
2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 116721056

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine (CID 114519800) is 1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine is CNC(c1ccc(OC2CC2)cc1)C(OC)C(C)C.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is WUFRJKOKQZBNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)16(18-4)15(17-3)12-5-7-13(8-6-12)19-14-9-10-14/h5-8,11,14-17H,9-10H2,1-4H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine?
1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 114519800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).