N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine

C15H22ClNO2 — CID 29226592

IUPACN-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine
SMILESCCCOc1c(Cl)cc(CNC2CC2)cc1OCC
InChIInChI=1S/C15H22ClNO2/c1-3-7-19-15-13(16)8-11(9-14(15)18-4-2)10-17-12-5-6-12/h8-9,12,17H,3-7,10H2,1-2H3
InChIKeyPDJOQSHKVKETPW-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.78
Rot. Bonds8

About N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine

N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine (PubChem CID 29226592) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine
PubChem CID29226592
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine
SMILESCCCOc1c(Cl)cc(CNC2CC2)cc1OCC
InChIInChI=1S/C15H22ClNO2/c1-3-7-19-15-13(16)8-11(9-14(15)18-4-2)10-17-12-5-6-12/h8-9,12,17H,3-7,10H2,1-2H3
InChIKeyPDJOQSHKVKETPW-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclopentanamine
CID 4717339
N-[(3-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17295895
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4720829
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine;hydrochloride
CID 17289730
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 2962391
2-[2-chloro-4-[(cyclooctylamino)methyl]-6-ethoxyphenoxy]acetamide
CID 4721368
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclohexanamine
CID 4721597
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 11948820
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]pentan-1-amine
CID 29226512
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylbutan-2-amine
CID 29226721
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331560
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclobutanamine;hydron;chloride
CID 70790004

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine (CID 29226592) is N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine is CCCOc1c(Cl)cc(CNC2CC2)cc1OCC.
What is the InChIKey of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine?
The InChIKey is PDJOQSHKVKETPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-3-7-19-15-13(16)8-11(9-14(15)18-4-2)10-17-12-5-6-12/h8-9,12,17H,3-7,10H2,1-2H3.
What are the key properties of N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine?
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine has a molecular weight of 283.80 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 29226592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).