N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine

C18H29NO2 — CID 62111220

IUPACN-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine
SMILESCOc1cccc(C(CNC2CC2)OCCCC(C)C)c1
InChIInChI=1S/C18H29NO2/c1-14(2)6-5-11-21-18(13-19-16-9-10-16)15-7-4-8-17(12-15)20-3/h4,7-8,12,14,16,18-19H,5-6,9-11,13H2,1-3H3
InChIKeyBZARXNBPQBPUKI-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.94
Rot. Bonds10

About N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine

N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine (PubChem CID 62111220) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine
PubChem CID62111220
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine
SMILESCOc1cccc(C(CNC2CC2)OCCCC(C)C)c1
InChIInChI=1S/C18H29NO2/c1-14(2)6-5-11-21-18(13-19-16-9-10-16)15-7-4-8-17(12-15)20-3/h4,7-8,12,14,16,18-19H,5-6,9-11,13H2,1-3H3
InChIKeyBZARXNBPQBPUKI-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
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-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686740
N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 66244884
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62107947
N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62108597
2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine
CID 55036389
1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018121
N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine
CID 82937261
2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
CID 103180506
2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792850
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631
N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 62106084
N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine
CID 62109389

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine (CID 62111220) is N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine is COc1cccc(C(CNC2CC2)OCCCC(C)C)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine?
The InChIKey is BZARXNBPQBPUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)6-5-11-21-18(13-19-16-9-10-16)15-7-4-8-17(12-15)20-3/h4,7-8,12,14,16,18-19H,5-6,9-11,13H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine?
N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine has a molecular weight of 291.44 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 62111220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).