N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine

C18H31NO2 — CID 62108264

IUPACN-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
SMILESCCCNCC(OC(C)CC(C)C)c1ccccc1OC
InChIInChI=1S/C18H31NO2/c1-6-11-19-13-18(21-15(4)12-14(2)3)16-9-7-8-10-17(16)20-5/h7-10,14-15,18-19H,6,11-13H2,1-5H3
InChIKeyAPBINMOGPWUSSK-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.19
Rot. Bonds10

About N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine

N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine (PubChem CID 62108264) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
PubChem CID62108264
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
SMILESCCCNCC(OC(C)CC(C)C)c1ccccc1OC
InChIInChI=1S/C18H31NO2/c1-6-11-19-13-18(21-15(4)12-14(2)3)16-9-7-8-10-17(16)20-5/h7-10,14-15,18-19H,6,11-13H2,1-5H3
InChIKeyAPBINMOGPWUSSK-UHFFFAOYSA-N
XLogP4.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.19
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-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
CID 63473525
1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene
CID 55035940
N-[2-cyclobutyloxy-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 62381823
N-[2-(2-bromophenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102984669
N-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 62106999
1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene
CID 102984547
2-(2-ethylphenoxy)-N-propylpropan-1-amine
CID 62486791
4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine
CID 79421664
4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 64664350
3-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 66437216
N-(2-phenyl-2-propan-2-yloxyethyl)propan-1-amine
CID 62108020
N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine
CID 55036763

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine (CID 62108264) is N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine is CCCNCC(OC(C)CC(C)C)c1ccccc1OC.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine?
The InChIKey is APBINMOGPWUSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-11-19-13-18(21-15(4)12-14(2)3)16-9-7-8-10-17(16)20-5/h7-10,14-15,18-19H,6,11-13H2,1-5H3.
What are the key properties of N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine?
N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine is sourced from PubChem (CID 62108264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).