1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine

C16H25NO — CID 114275947

IUPAC1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine
SMILESCCCC(N[C@H](C)c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C16H25NO/c1-4-5-16(14-6-7-14)17-12(2)13-8-10-15(18-3)11-9-13/h8-12,14,16-17H,4-7H2,1-3H3/t12-,16?/m1/s1
InChIKeyWCDCJIZYWORIJI-ZGTOLYCTSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds7

About 1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine

1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine (PubChem CID 114275947) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine
PubChem CID114275947
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine
SMILESCCCC(N[C@H](C)c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C16H25NO/c1-4-5-16(14-6-7-14)17-12(2)13-8-10-15(18-3)11-9-13/h8-12,14,16-17H,4-7H2,1-3H3/t12-,16?/m1/s1
InChIKeyWCDCJIZYWORIJI-ZGTOLYCTSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]ethanamine
CID 81370901
1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine
CID 113338838
1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64918622
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644
1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
CID 104866403
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 81371064
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 115769765
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
CID 81370732
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 61468819

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine (CID 114275947) is 1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine is CCCC(N[C@H](C)c1ccc(OC)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine?
The InChIKey is WCDCJIZYWORIJI-ZGTOLYCTSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-5-16(14-6-7-14)17-12(2)13-8-10-15(18-3)11-9-13/h8-12,14,16-17H,4-7H2,1-3H3/t12-,16?/m1/s1.
What are the key properties of 1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine?
1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine is sourced from PubChem (CID 114275947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).