2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine

C21H27NO — CID 82185957

IUPAC2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine
SMILESCc1ccc(COc2cccc(CC3CCCCC3N)c2)cc1
InChIInChI=1S/C21H27NO/c1-16-9-11-17(12-10-16)15-23-20-7-4-5-18(14-20)13-19-6-2-3-8-21(19)22/h4-5,7,9-12,14,19,21H,2-3,6,8,13,15,22H2,1H3
InChIKeyVXDWVPLRSZYCJS-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.63
Rot. Bonds5

About 2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine

2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine (PubChem CID 82185957) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine
PubChem CID82185957
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine
SMILESCc1ccc(COc2cccc(CC3CCCCC3N)c2)cc1
InChIInChI=1S/C21H27NO/c1-16-9-11-17(12-10-16)15-23-20-7-4-5-18(14-20)13-19-6-2-3-8-21(19)22/h4-5,7,9-12,14,19,21H,2-3,6,8,13,15,22H2,1H3
InChIKeyVXDWVPLRSZYCJS-UHFFFAOYSA-N
XLogP4.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
CID 82185961
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
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
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 8635403
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
[3-[(4-methylphenyl)methoxy]phenyl]hydrazine
CID 82081357
ethyl 2-[3-[[2-(hydroxymethyl)cyclohexyl]methyl]phenoxy]acetate
CID 91408163
2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 17210985

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine (CID 82185957) is 2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine is Cc1ccc(COc2cccc(CC3CCCCC3N)c2)cc1.
What is the InChIKey of 2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine?
The InChIKey is VXDWVPLRSZYCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-16-9-11-17(12-10-16)15-23-20-7-4-5-18(14-20)13-19-6-2-3-8-21(19)22/h4-5,7,9-12,14,19,21H,2-3,6,8,13,15,22H2,1H3.
What are the key properties of 2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine?
2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine has a molecular weight of 309.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 82185957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).