N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine

C16H25NO2 — CID 106659132

IUPACN-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine
SMILESCCCCc1cc(OC)c(OC)cc1CNC1CC1
InChIInChI=1S/C16H25NO2/c1-4-5-6-12-9-15(18-2)16(19-3)10-13(12)11-17-14-7-8-14/h9-10,14,17H,4-8,11H2,1-3H3
InChIKeyHDOMUQMGCKDGJT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.30
Rot. Bonds8

About N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine

N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine (PubChem CID 106659132) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine
PubChem CID106659132
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine
SMILESCCCCc1cc(OC)c(OC)cc1CNC1CC1
InChIInChI=1S/C16H25NO2/c1-4-5-6-12-9-15(18-2)16(19-3)10-13(12)11-17-14-7-8-14/h9-10,14,17H,4-8,11H2,1-3H3
InChIKeyHDOMUQMGCKDGJT-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453715
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide
CID 75531363
N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine
CID 96674047
N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 59494303
N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 59494193
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]cyclohexanamine
CID 66535507
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine
CID 66532495
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]cyclobutanamine
CID 64988551
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
N-[[2-(furan-3-yl)-4,5-dimethoxyphenyl]methyl]cyclopropanamine
CID 63949144

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine (CID 106659132) is N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine is CCCCc1cc(OC)c(OC)cc1CNC1CC1.
What is the InChIKey of N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine?
The InChIKey is HDOMUQMGCKDGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-5-6-12-9-15(18-2)16(19-3)10-13(12)11-17-14-7-8-14/h9-10,14,17H,4-8,11H2,1-3H3.
What are the key properties of N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine?
N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 106659132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).