N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine

C15H22ClNO3 — CID 59494193

IUPACN-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
SMILESCOCCCOc1cc(CNC2CC2)c(Cl)cc1OC
InChIInChI=1S/C15H22ClNO3/c1-18-6-3-7-20-15-8-11(10-17-12-4-5-12)13(16)9-14(15)19-2/h8-9,12,17H,3-7,10H2,1-2H3
InChIKeyPZQDYCYCNBSQGP-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.02
Rot. Bonds9

About N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine

N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine (PubChem CID 59494193) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
PubChem CID59494193
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
SMILESCOCCCOc1cc(CNC2CC2)c(Cl)cc1OC
InChIInChI=1S/C15H22ClNO3/c1-18-6-3-7-20-15-8-11(10-17-12-4-5-12)13(16)9-14(15)19-2/h8-9,12,17H,3-7,10H2,1-2H3
InChIKeyPZQDYCYCNBSQGP-UHFFFAOYSA-N
XLogP3.02
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.02
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-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 59494303
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine
CID 66532495
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopropanamine
CID 66529595
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]cycloheptanamine
CID 66530918
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 109379737
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]cycloheptanamine
CID 66532216
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 66530902
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine
CID 66532386

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine (CID 59494193) is N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine is COCCCOc1cc(CNC2CC2)c(Cl)cc1OC.
What is the InChIKey of N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is PZQDYCYCNBSQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-18-6-3-7-20-15-8-11(10-17-12-4-5-12)13(16)9-14(15)19-2/h8-9,12,17H,3-7,10H2,1-2H3.
What are the key properties of N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 299.80 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 59494193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).