N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine

C20H25NO — CID 17055072

IUPACN-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
SMILESCc1ccc(COc2cccc(CNC3CCCC3)c2)cc1
InChIInChI=1S/C20H25NO/c1-16-9-11-17(12-10-16)15-22-20-8-4-5-18(13-20)14-21-19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-15H2,1H3
InChIKeyDMYNPGCVYANMLD-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.61
Rot. Bonds6

About N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine

N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine (PubChem CID 17055072) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
PubChem CID17055072
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
SMILESCc1ccc(COc2cccc(CNC3CCCC3)c2)cc1
InChIInChI=1S/C20H25NO/c1-16-9-11-17(12-10-16)15-22-20-8-4-5-18(13-20)14-21-19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-15H2,1H3
InChIKeyDMYNPGCVYANMLD-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058
1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159389
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17159388
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine
CID 175567978
2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine
CID 82185957
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine (CID 17055072) is N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine is Cc1ccc(COc2cccc(CNC3CCCC3)c2)cc1.
What is the InChIKey of N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine?
The InChIKey is DMYNPGCVYANMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-16-9-11-17(12-10-16)15-22-20-8-4-5-18(13-20)14-21-19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-15H2,1H3.
What are the key properties of N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine?
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine has a molecular weight of 295.43 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine is sourced from PubChem (CID 17055072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).