N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine

C15H23NO2 — CID 81376823

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine
SMILESCOc1cccc([C@H](C)NC2CCOC(C)C2)c1
InChIInChI=1S/C15H23NO2/c1-11-9-14(7-8-18-11)16-12(2)13-5-4-6-15(10-13)17-3/h4-6,10-12,14,16H,7-9H2,1-3H3/t11?,12-,14?/m0/s1
InChIKeyBDHNZDDONIHABM-LXVYMNJGSA-N
MW249.35 g/mol
LogP2.91
Rot. Bonds4

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine

N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine (PubChem CID 81376823) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine
PubChem CID81376823
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine
SMILESCOc1cccc([C@H](C)NC2CCOC(C)C2)c1
InChIInChI=1S/C15H23NO2/c1-11-9-14(7-8-18-11)16-12(2)13-5-4-6-15(10-13)17-3/h4-6,10-12,14,16H,7-9H2,1-3H3/t11?,12-,14?/m0/s1
InChIKeyBDHNZDDONIHABM-LXVYMNJGSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
CID 81375713
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79690675
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
3-[1-(3-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066771
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81398024
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467676
N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 60945450
N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 79690670
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 81376200

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine (CID 81376823) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine is COc1cccc([C@H](C)NC2CCOC(C)C2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine?
The InChIKey is BDHNZDDONIHABM-LXVYMNJGSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-9-14(7-8-18-11)16-12(2)13-5-4-6-15(10-13)17-3/h4-6,10-12,14,16H,7-9H2,1-3H3/t11?,12-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine has a molecular weight of 249.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine is sourced from PubChem (CID 81376823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).