2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine

C20H25NO — CID 82185961

IUPAC2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H25NO/c21-20-12-5-4-10-18(20)13-17-9-6-11-19(14-17)22-15-16-7-2-1-3-8-16/h1-3,6-9,11,14,18,20H,4-5,10,12-13,15,21H2
InChIKeyUPBYCIVEAZPXAE-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.33
Rot. Bonds5

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

2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 82185961) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID82185961
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H25NO/c21-20-12-5-4-10-18(20)13-17-9-6-11-19(14-17)22-15-16-7-2-1-3-8-16/h1-3,6-9,11,14,18,20H,4-5,10,12-13,15,21H2
InChIKeyUPBYCIVEAZPXAE-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine
CID 82185957
2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine
CID 82185960
2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 18969682
2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine
CID 82185949
2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine
CID 82185958
(3-phenylmethoxyphenyl)methanesulfonamide
CID 165446616
5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 132648826
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910073
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 135389134
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine (CID 82185961) is 2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine is NC1CCCCC1Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is UPBYCIVEAZPXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c21-20-12-5-4-10-18(20)13-17-9-6-11-19(14-17)22-15-16-7-2-1-3-8-16/h1-3,6-9,11,14,18,20H,4-5,10,12-13,15,21H2.
What are the key properties of 2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine?
2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 82185961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).