N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine

C16H25NO3 — CID 104646908

IUPACN-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
SMILESCOCCCCOc1ccc(CNC2CC2)cc1OC
InChIInChI=1S/C16H25NO3/c1-18-9-3-4-10-20-15-8-5-13(11-16(15)19-2)12-17-14-6-7-14/h5,8,11,14,17H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyGSTYLSRIQPPJMK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.75
Rot. Bonds10

About N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine

N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine (PubChem CID 104646908) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
PubChem CID104646908
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
SMILESCOCCCCOc1ccc(CNC2CC2)cc1OC
InChIInChI=1S/C16H25NO3/c1-18-9-3-4-10-20-15-8-5-13(11-16(15)19-2)12-17-14-6-7-14/h5,8,11,14,17H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyGSTYLSRIQPPJMK-UHFFFAOYSA-N
XLogP2.75
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.75
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-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine
CID 59494923
2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol
CID 111466387
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
CID 114524710
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
CID 60881685
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60881124
N-[(3-ethoxy-4-hexoxyphenyl)methyl]cyclopropanamine
CID 43278209
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65082764

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine (CID 104646908) is N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine is COCCCCOc1ccc(CNC2CC2)cc1OC.
What is the InChIKey of N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is GSTYLSRIQPPJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-9-3-4-10-20-15-8-5-13(11-16(15)19-2)12-17-14-6-7-14/h5,8,11,14,17H,3-4,6-7,9-10,12H2,1-2H3.
What are the key properties of N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine?
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 279.38 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 104646908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).