N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine

C18H31NO2 — CID 103183382

IUPACN-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine
SMILESCCNCC(CCOCCCOC)Cc1ccccc1C
InChIInChI=1S/C18H31NO2/c1-4-19-15-17(10-13-21-12-7-11-20-3)14-18-9-6-5-8-16(18)2/h5-6,8-9,17,19H,4,7,10-15H2,1-3H3
InChIKeyXCRHDKOMJOJOLA-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.21
Rot. Bonds12

About N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine

N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine (PubChem CID 103183382) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine
PubChem CID103183382
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine
SMILESCCNCC(CCOCCCOC)Cc1ccccc1C
InChIInChI=1S/C18H31NO2/c1-4-19-15-17(10-13-21-12-7-11-20-3)14-18-9-6-5-8-16(18)2/h5-6,8-9,17,19H,4,7,10-15H2,1-3H3
InChIKeyXCRHDKOMJOJOLA-UHFFFAOYSA-N
XLogP3.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.21
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

5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine
CID 55083208
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748
N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 62514235
N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264
N-tert-butyl-2-[(2-methylphenyl)methyl]-4-propoxybutan-1-amine
CID 106456722
2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984660
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 106930678
N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456762
N-ethyl-2-[(2-methylphenyl)methyl]-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617665
4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62515207
N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456726

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine?
The IUPAC name of N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine (CID 103183382) is N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine is CCNCC(CCOCCCOC)Cc1ccccc1C.
What is the InChIKey of N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine?
The InChIKey is XCRHDKOMJOJOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-19-15-17(10-13-21-12-7-11-20-3)14-18-9-6-5-8-16(18)2/h5-6,8-9,17,19H,4,7,10-15H2,1-3H3.
What are the key properties of N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine?
N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.21, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 103183382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).