N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine

C18H29NO2 — CID 106667054

IUPACN-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
SMILESCOC(C)(C)CCOC(CNC1CC1)c1ccc(C)cc1
InChIInChI=1S/C18H29NO2/c1-14-5-7-15(8-6-14)17(13-19-16-9-10-16)21-12-11-18(2,3)20-4/h5-8,16-17,19H,9-13H2,1-4H3
InChIKeySMJAXUBAGCXQKH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.62
Rot. Bonds9

About N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine

N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine (PubChem CID 106667054) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
PubChem CID106667054
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
SMILESCOC(C)(C)CCOC(CNC1CC1)c1ccc(C)cc1
InChIInChI=1S/C18H29NO2/c1-14-5-7-15(8-6-14)17(13-19-16-9-10-16)21-12-11-18(2,3)20-4/h5-8,16-17,19H,9-13H2,1-4H3
InChIKeySMJAXUBAGCXQKH-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine
CID 103036875
N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 66227133
N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105975
N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 66322051
N-[2-phenyl-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
CID 82959482
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62107517
N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62108597
2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine
CID 106204976
1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine
CID 106665055
N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62106890
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 62106947

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine (CID 106667054) is N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine is COC(C)(C)CCOC(CNC1CC1)c1ccc(C)cc1.
What is the InChIKey of N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine?
The InChIKey is SMJAXUBAGCXQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-5-7-15(8-6-14)17(13-19-16-9-10-16)21-12-11-18(2,3)20-4/h5-8,16-17,19H,9-13H2,1-4H3.
What are the key properties of N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine?
N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine has a molecular weight of 291.44 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 106667054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).