N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine

C14H23NO — CID 115705553

IUPACN-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine
SMILESCOCCNC(C)CCc1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-12-4-7-14(8-5-12)9-6-13(2)15-10-11-16-3/h4-5,7-8,13,15H,6,9-11H2,1-3H3
InChIKeyAGKXEQJKEIDHKP-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.55
Rot. Bonds7

About N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine

N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine (PubChem CID 115705553) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine
PubChem CID115705553
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine
SMILESCOCCNC(C)CCc1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-12-4-7-14(8-5-12)9-6-13(2)15-10-11-16-3/h4-5,7-8,13,15H,6,9-11H2,1-3H3
InChIKeyAGKXEQJKEIDHKP-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine
CID 97074820
(2S)-4-(4-methylphenyl)-N-(2-methylsulfonylethyl)butan-2-amine
CID 97230944
N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine
CID 115705142
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
CID 65300901
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
N-(2-methoxyethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43087566
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
4-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 115688342
2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol
CID 115724716
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine (CID 115705553) is N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine is COCCNC(C)CCc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine?
The InChIKey is AGKXEQJKEIDHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-4-7-14(8-5-12)9-6-13(2)15-10-11-16-3/h4-5,7-8,13,15H,6,9-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine?
N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 115705553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).