N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine

C16H27NO2 — CID 62514235

IUPACN-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine
SMILESCCNCC(CCCOC)Cc1ccccc1OC
InChIInChI=1S/C16H27NO2/c1-4-17-13-14(8-7-11-18-2)12-15-9-5-6-10-16(15)19-3/h5-6,9-10,14,17H,4,7-8,11-13H2,1-3H3
InChIKeyZXINLIORCHNIKX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.89
Rot. Bonds10

About N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine

N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine (PubChem CID 62514235) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine
PubChem CID62514235
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine
SMILESCCNCC(CCCOC)Cc1ccccc1OC
InChIInChI=1S/C16H27NO2/c1-4-17-13-14(8-7-11-18-2)12-15-9-5-6-10-16(15)19-3/h5-6,9-10,14,17H,4,7-8,11-13H2,1-3H3
InChIKeyZXINLIORCHNIKX-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.89
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-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456762
6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 104649283
N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine
CID 103183382
5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine
CID 55083208
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
CID 113453859
2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine
CID 62725841
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 54609120
2-[(4-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 55083300
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 62514731
2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62528121

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine?
The IUPAC name of N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine (CID 62514235) is N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine is CCNCC(CCCOC)Cc1ccccc1OC.
What is the InChIKey of N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine?
The InChIKey is ZXINLIORCHNIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-17-13-14(8-7-11-18-2)12-15-9-5-6-10-16(15)19-3/h5-6,9-10,14,17H,4,7-8,11-13H2,1-3H3.
What are the key properties of N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine?
N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 62514235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).