3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine

C16H25NO — CID 81397757

IUPAC3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine
SMILESCCC1CCC(N[C@H](C)c2ccccc2OC)C1
InChIInChI=1S/C16H25NO/c1-4-13-9-10-14(11-13)17-12(2)15-7-5-6-8-16(15)18-3/h5-8,12-14,17H,4,9-11H2,1-3H3/t12-,13?,14?/m1/s1
InChIKeyCIASOBGLYICZJU-IYXRBSQSSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds5

About 3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine

3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine (PubChem CID 81397757) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine
PubChem CID81397757
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine
SMILESCCC1CCC(N[C@H](C)c2ccccc2OC)C1
InChIInChI=1S/C16H25NO/c1-4-13-9-10-14(11-13)17-12(2)15-7-5-6-8-16(15)18-3/h5-8,12-14,17H,4,9-11H2,1-3H3/t12-,13?,14?/m1/s1
InChIKeyCIASOBGLYICZJU-IYXRBSQSSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
CID 43612843
N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113262284
2-ethyl-N-[1-(2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 103783784
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81396947
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine
CID 81397734
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81398024
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
3-ethyl-N-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64500368
N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
CID 81397207
3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine
CID 79461771
4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43225789

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine (CID 81397757) is 3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine is CCC1CCC(N[C@H](C)c2ccccc2OC)C1.
What is the InChIKey of 3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine?
The InChIKey is CIASOBGLYICZJU-IYXRBSQSSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-13-9-10-14(11-13)17-12(2)15-7-5-6-8-16(15)18-3/h5-8,12-14,17H,4,9-11H2,1-3H3/t12-,13?,14?/m1/s1.
What are the key properties of 3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine?
3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 81397757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).