N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine

C17H27NO2 — CID 81397734

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(N[C@H](C)c2ccccc2OC)CCO1
InChIInChI=1S/C17H27NO2/c1-4-7-15-12-14(10-11-20-15)18-13(2)16-8-5-6-9-17(16)19-3/h5-6,8-9,13-15,18H,4,7,10-12H2,1-3H3/t13-,14?,15?/m1/s1
InChIKeyBKBRCQMAADMFOW-WLYUNCDWSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds6

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine (PubChem CID 81397734) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine
PubChem CID81397734
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(N[C@H](C)c2ccccc2OC)CCO1
InChIInChI=1S/C17H27NO2/c1-4-7-15-12-14(10-11-20-15)18-13(2)16-8-5-6-9-17(16)19-3/h5-6,8-9,13-15,18H,4,7,10-12H2,1-3H3/t13-,14?,15?/m1/s1
InChIKeyBKBRCQMAADMFOW-WLYUNCDWSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81398024
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine
CID 81352507
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 81397757
N-[(1S)-1-(4-bromophenyl)ethyl]-2-propyloxan-4-amine
CID 81353815
N-[(1S)-1-(3-methylphenyl)ethyl]-2-propyloxan-4-amine
CID 81364604
(2R,4R)-2-methyl-N-[(1R)-1-(2-phenylmethoxyphenyl)ethyl]oxan-4-amine
CID 98856115
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113262284
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine (CID 81397734) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine is CCCC1CC(N[C@H](C)c2ccccc2OC)CCO1.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine?
The InChIKey is BKBRCQMAADMFOW-WLYUNCDWSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-7-15-12-14(10-11-20-15)18-13(2)16-8-5-6-9-17(16)19-3/h5-6,8-9,13-15,18H,4,7,10-12H2,1-3H3/t13-,14?,15?/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine is sourced from PubChem (CID 81397734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).