N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine

C22H22N2O — CID 175646897

IUPACN-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESc1ccc(COc2cccc(-c3ccc(CNC4CC4)cn3)c2)cc1
InChIInChI=1S/C22H22N2O/c1-2-5-17(6-3-1)16-25-21-8-4-7-19(13-21)22-12-9-18(15-24-22)14-23-20-10-11-20/h1-9,12-13,15,20,23H,10-11,14,16H2
InChIKeyDNFVFRPZHMXANV-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.58
Rot. Bonds7

About N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 175646897) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID175646897
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESc1ccc(COc2cccc(-c3ccc(CNC4CC4)cn3)c2)cc1
InChIInChI=1S/C22H22N2O/c1-2-5-17(6-3-1)16-25-21-8-4-7-19(13-21)22-12-9-18(15-24-22)14-23-20-10-11-20/h1-9,12-13,15,20,23H,10-11,14,16H2
InChIKeyDNFVFRPZHMXANV-UHFFFAOYSA-N
XLogP4.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine
CID 175646894
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755519
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496125

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine (CID 175646897) is N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine is c1ccc(COc2cccc(-c3ccc(CNC4CC4)cn3)c2)cc1.
What is the InChIKey of N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is DNFVFRPZHMXANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-2-5-17(6-3-1)16-25-21-8-4-7-19(13-21)22-12-9-18(15-24-22)14-23-20-10-11-20/h1-9,12-13,15,20,23H,10-11,14,16H2.
What are the key properties of N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 330.43 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-phenylmethoxyphenyl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 175646897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).