N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine

C17H27NO — CID 83068383

IUPACN-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine
SMILESCOc1c(C)cc(C(C)(C)CCNC2CC2)cc1C
InChIInChI=1S/C17H27NO/c1-12-10-14(11-13(2)16(12)19-5)17(3,4)8-9-18-15-6-7-15/h10-11,15,18H,6-9H2,1-5H3
InChIKeyQLGRNJMLBUSUKG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.73
Rot. Bonds6

About N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine

N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine (PubChem CID 83068383) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine
PubChem CID83068383
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine
SMILESCOc1c(C)cc(C(C)(C)CCNC2CC2)cc1C
InChIInChI=1S/C17H27NO/c1-12-10-14(11-13(2)16(12)19-5)17(3,4)8-9-18-15-6-7-15/h10-11,15,18H,6-9H2,1-5H3
InChIKeyQLGRNJMLBUSUKG-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81022096
N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 79829925
N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine
CID 115206741
5-(4-chloro-2-methylbutan-2-yl)-2-methoxy-1,3-dimethylbenzene
CID 83068458
N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine
CID 83068746
N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine
CID 102765283
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206963
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine
CID 96662677
N-cyclopropyl-N'-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 115206789
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118462
N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 115206704

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine (CID 83068383) is N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine is COc1c(C)cc(C(C)(C)CCNC2CC2)cc1C.
What is the InChIKey of N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine?
The InChIKey is QLGRNJMLBUSUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-10-14(11-13(2)16(12)19-5)17(3,4)8-9-18-15-6-7-15/h10-11,15,18H,6-9H2,1-5H3.
What are the key properties of N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine?
N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 83068383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).