2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine

C21H27NO2 — CID 82185949

IUPAC2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine
SMILESCOc1ccccc1OCc1cccc(CC2CCCCC2N)c1
InChIInChI=1S/C21H27NO2/c1-23-20-11-4-5-12-21(20)24-15-17-8-6-7-16(13-17)14-18-9-2-3-10-19(18)22/h4-8,11-13,18-19H,2-3,9-10,14-15,22H2,1H3
InChIKeyLIKYOOIQYGPEGZ-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.33
Rot. Bonds6

About 2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine

2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine (PubChem CID 82185949) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine
PubChem CID82185949
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine
SMILESCOc1ccccc1OCc1cccc(CC2CCCCC2N)c1
InChIInChI=1S/C21H27NO2/c1-23-20-11-4-5-12-21(20)24-15-17-8-6-7-16(13-17)14-18-9-2-3-10-19(18)22/h4-8,11-13,18-19H,2-3,9-10,14-15,22H2,1H3
InChIKeyLIKYOOIQYGPEGZ-UHFFFAOYSA-N
XLogP4.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
CID 82185961
2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine
CID 82185957
2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 82485335
2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 82383669
2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine
CID 82185960
CID 162338619
CID 162338619
4-[3-[(2-methoxyphenoxy)methyl]phenyl]piperidine
CID 91230339
2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 18969682
1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine
CID 82184828
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine
CID 171234171
4-[(3-methoxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 63091349

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine (CID 82185949) is 2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine is COc1ccccc1OCc1cccc(CC2CCCCC2N)c1.
What is the InChIKey of 2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine?
The InChIKey is LIKYOOIQYGPEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-23-20-11-4-5-12-21(20)24-15-17-8-6-7-16(13-17)14-18-9-2-3-10-19(18)22/h4-8,11-13,18-19H,2-3,9-10,14-15,22H2,1H3.
What are the key properties of 2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine?
2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine has a molecular weight of 325.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 82185949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).