N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine

C15H22ClNO — CID 62108578

IUPACN-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine
SMILESCCC(C)OC(CNC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-3-11(2)18-15(10-17-14-7-8-14)12-5-4-6-13(16)9-12/h4-6,9,11,14-15,17H,3,7-8,10H2,1-2H3
InChIKeyKPIIETJHWLTAIX-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.95
Rot. Bonds7

About N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine

N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine (PubChem CID 62108578) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine
PubChem CID62108578
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine
SMILESCCC(C)OC(CNC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-3-11(2)18-15(10-17-14-7-8-14)12-5-4-6-13(16)9-12/h4-6,9,11,14-15,17H,3,7-8,10H2,1-2H3
InChIKeyKPIIETJHWLTAIX-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine
CID 62108579
N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104565658
N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine
CID 102984848
N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169064
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
N-[2-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 55036653
N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine
CID 63476220
N-(2-butan-2-yloxypropyl)cyclopropanamine
CID 62453628
2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine
CID 62107327
2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62107675
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide
CID 81372786
N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine
CID 55036275

Frequently Asked Questions

What is the IUPAC name of N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine (CID 62108578) is N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine is CCC(C)OC(CNC1CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine?
The InChIKey is KPIIETJHWLTAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-11(2)18-15(10-17-14-7-8-14)12-5-4-6-13(16)9-12/h4-6,9,11,14-15,17H,3,7-8,10H2,1-2H3.
What are the key properties of N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine?
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine has a molecular weight of 267.80 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 62108578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).