N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine

C21H27NO3 — CID 59494923

IUPACN-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine
SMILESCOCCCOc1cc(CNC2CC2)ccc1OCc1ccccc1
InChIInChI=1S/C21H27NO3/c1-23-12-5-13-24-21-14-18(15-22-19-9-10-19)8-11-20(21)25-16-17-6-3-2-4-7-17/h2-4,6-8,11,14,19,22H,5,9-10,12-13,15-16H2,1H3
InChIKeyPMLKQKRPXJTNCR-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.93
Rot. Bonds11

About N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine

N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine (PubChem CID 59494923) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine
PubChem CID59494923
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine
SMILESCOCCCOc1cc(CNC2CC2)ccc1OCc1ccccc1
InChIInChI=1S/C21H27NO3/c1-23-12-5-13-24-21-14-18(15-22-19-9-10-19)8-11-20(21)25-16-17-6-3-2-4-7-17/h2-4,6-8,11,14,19,22H,5,9-10,12-13,15-16H2,1H3
InChIKeyPMLKQKRPXJTNCR-UHFFFAOYSA-N
XLogP3.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509612
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 63319851
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine
CID 119124561
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
1-benzyl-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159086
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
CID 114524710
N-[(3-ethoxy-4-hexoxyphenyl)methyl]cyclopropanamine
CID 43278209
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17158503
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine (CID 59494923) is N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine is COCCCOc1cc(CNC2CC2)ccc1OCc1ccccc1.
What is the InChIKey of N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine?
The InChIKey is PMLKQKRPXJTNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-23-12-5-13-24-21-14-18(15-22-19-9-10-19)8-11-20(21)25-16-17-6-3-2-4-7-17/h2-4,6-8,11,14,19,22H,5,9-10,12-13,15-16H2,1H3.
What are the key properties of N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine?
N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine has a molecular weight of 341.45 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 59494923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).