N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine

C15H22ClNO — CID 79829925

IUPACN-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
SMILESCOc1ccc(C(C)(C)CCNC2CC2)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-15(2,8-9-17-12-5-6-12)11-4-7-14(18-3)13(16)10-11/h4,7,10,12,17H,5-6,8-9H2,1-3H3
InChIKeyUWQSWLOEZMDLII-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.77
Rot. Bonds6

About N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine

N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine (PubChem CID 79829925) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
PubChem CID79829925
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
SMILESCOc1ccc(C(C)(C)CCNC2CC2)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-15(2,8-9-17-12-5-6-12)11-4-7-14(18-3)13(16)10-11/h4,7,10,12,17H,5-6,8-9H2,1-3H3
InChIKeyUWQSWLOEZMDLII-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81022096
2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 82081284
2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82126929
N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine
CID 83068383
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 115206704
N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65308462
N-(bromomethyl)-2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-amine
CID 115262519
2-[[2-(3-chloro-4-methoxyphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131477
2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol
CID 79697533
2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene
CID 116841642
N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79339736

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine (CID 79829925) is N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine is COc1ccc(C(C)(C)CCNC2CC2)cc1Cl.
What is the InChIKey of N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
The InChIKey is UWQSWLOEZMDLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-15(2,8-9-17-12-5-6-12)11-4-7-14(18-3)13(16)10-11/h4,7,10,12,17H,5-6,8-9H2,1-3H3.
What are the key properties of N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine?
N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine has a molecular weight of 267.80 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 79829925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).