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

C16H24ClNO3 — CID 103177541

IUPACN-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCOCCCOCCOc1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C16H24ClNO3/c1-19-7-2-8-20-9-10-21-16-6-3-14(17)11-13(16)12-18-15-4-5-15/h3,6,11,15,18H,2,4-5,7-10,12H2,1H3
InChIKeyZXJGZWCVFDYPQK-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.02
Rot. Bonds11

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

N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 103177541) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID103177541
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC NameN-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCOCCCOCCOc1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C16H24ClNO3/c1-19-7-2-8-20-9-10-21-16-6-3-14(17)11-13(16)12-18-15-4-5-15/h3,6,11,15,18H,2,4-5,7-10,12H2,1H3
InChIKeyZXJGZWCVFDYPQK-UHFFFAOYSA-N
XLogP3.02
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
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-[[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]cyclopropanamine
CID 103408983
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365706
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine
CID 61482948
N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103405852
2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411486
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103176787
N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177897
N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107688280
N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 59494193

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine (CID 103177541) is N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine is COCCCOCCOc1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is ZXJGZWCVFDYPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-19-7-2-8-20-9-10-21-16-6-3-14(17)11-13(16)12-18-15-4-5-15/h3,6,11,15,18H,2,4-5,7-10,12H2,1H3.
What are the key properties of N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 313.83 g/mol, XLogP of 3.02, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 103177541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).