N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine

C15H22ClNO2 — CID 65176295

IUPACN-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine
SMILESCCOCCCOc1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C15H22ClNO2/c1-2-18-8-3-9-19-15-7-4-12(10-14(15)16)11-17-13-5-6-13/h4,7,10,13,17H,2-3,5-6,8-9,11H2,1H3
InChIKeyLANYAJQPYZQMSY-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.40
Rot. Bonds9

About N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine

N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine (PubChem CID 65176295) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine
PubChem CID65176295
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine
SMILESCCOCCCOc1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C15H22ClNO2/c1-2-18-8-3-9-19-15-7-4-12(10-14(15)16)11-17-13-5-6-13/h4,7,10,13,17H,2-3,5-6,8-9,11H2,1H3
InChIKeyLANYAJQPYZQMSY-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158351
N-[[4-(3-ethoxypropoxy)-3-nitrophenyl]methyl]cyclopropanamine
CID 65176724
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
CID 79168575
N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 113382701
N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 64748077
N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
CID 29222762
N-[(3-ethoxy-4-hexoxyphenyl)methyl]cyclopropanamine
CID 43278209
1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65180611
N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 62737898
1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103409031
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine (CID 65176295) is N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine is CCOCCCOc1ccc(CNC2CC2)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is LANYAJQPYZQMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-2-18-8-3-9-19-15-7-4-12(10-14(15)16)11-17-13-5-6-13/h4,7,10,13,17H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine?
N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 283.80 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 65176295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).