N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine

C18H29NO2 — CID 106667907

IUPACN-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine
SMILESCOC(C)(C)CCOCc1ccccc1CCNC1CC1
InChIInChI=1S/C18H29NO2/c1-18(2,20-3)11-13-21-14-16-7-5-4-6-15(16)10-12-19-17-8-9-17/h4-7,17,19H,8-14H2,1-3H3
InChIKeyHWPBQTOKPJMSLD-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.31
Rot. Bonds10

About N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine

N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 106667907) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine
PubChem CID106667907
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine
SMILESCOC(C)(C)CCOCc1ccccc1CCNC1CC1
InChIInChI=1S/C18H29NO2/c1-18(2,20-3)11-13-21-14-16-7-5-4-6-15(16)10-12-19-17-8-9-17/h4-7,17,19H,8-14H2,1-3H3
InChIKeyHWPBQTOKPJMSLD-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine
CID 106667842
N-[2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethyl]cyclopropanamine
CID 114470752
4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 783786
2-[(3-methoxy-3-methylbutoxy)methyl]benzoic acid
CID 106664742
N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 115464536
4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 78911515
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[4-[(2-fluorophenyl)methoxy]butyl]cyclopropanamine
CID 63935145
N-[2-[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 106598452
N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115464133
N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine
CID 82825189
N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine
CID 106675135

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine (CID 106667907) is N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine is COC(C)(C)CCOCc1ccccc1CCNC1CC1.
What is the InChIKey of N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is HWPBQTOKPJMSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,20-3)11-13-21-14-16-7-5-4-6-15(16)10-12-19-17-8-9-17/h4-7,17,19H,8-14H2,1-3H3.
What are the key properties of N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 291.44 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 106667907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).