N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine

C15H22ClNO — CID 113361839

IUPACN-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine
SMILESCCOCC(CNC1CC1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-2-18-11-13(10-17-15-6-7-15)8-12-4-3-5-14(16)9-12/h3-5,9,13,15,17H,2,6-8,10-11H2,1H3
InChIKeyOUCWRJLQPLLVCX-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.29
Rot. Bonds8

About N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine

N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine (PubChem CID 113361839) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine
PubChem CID113361839
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine
SMILESCCOCC(CNC1CC1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-2-18-11-13(10-17-15-6-7-15)8-12-4-3-5-14(16)9-12/h3-5,9,13,15,17H,2,6-8,10-11H2,1H3
InChIKeyOUCWRJLQPLLVCX-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
CID 106705939
N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63521924
N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine
CID 83183192
N-[2-(methoxymethyl)-3-(3-methylphenyl)propyl]cyclopropanamine
CID 113361834
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
2-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225942
N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine
CID 62531188
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282
N-[2-[(3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528134
2-[(3-chlorophenyl)methyl]-4-ethoxy-N-propylbutan-1-amine
CID 62515777
2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine
CID 65178041

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine (CID 113361839) is N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine is CCOCC(CNC1CC1)Cc1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine?
The InChIKey is OUCWRJLQPLLVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-2-18-11-13(10-17-15-6-7-15)8-12-4-3-5-14(16)9-12/h3-5,9,13,15,17H,2,6-8,10-11H2,1H3.
What are the key properties of N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine?
N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine has a molecular weight of 267.80 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine is sourced from PubChem (CID 113361839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).