N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine

C14H23NO — CID 17206624

IUPACN-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine
SMILESCCOc1ccc(CNC(C)(C)CC)cc1
InChIInChI=1S/C14H23NO/c1-5-14(3,4)15-11-12-7-9-13(10-8-12)16-6-2/h7-10,15H,5-6,11H2,1-4H3
InChIKeyMBUYWYOSODSFEP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.36
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine

N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine (PubChem CID 17206624) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine
PubChem CID17206624
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine
SMILESCCOc1ccc(CNC(C)(C)CC)cc1
InChIInChI=1S/C14H23NO/c1-5-14(3,4)15-11-12-7-9-13(10-8-12)16-6-2/h7-10,15H,5-6,11H2,1-4H3
InChIKeyMBUYWYOSODSFEP-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine
CID 17206654
2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid
CID 65263874
1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine
CID 94681273
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol
CID 28725557
2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
CID 29228499
N-(bromomethyl)-1-(4-ethoxyphenyl)methanamine
CID 115261867
1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108884584
N-[(4-ethoxyphenyl)methyl]ethenamine
CID 166934902
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 2958853
4-[(4-ethoxyanilino)methyl]phenol
CID 3271066

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine (CID 17206624) is N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine is CCOc1ccc(CNC(C)(C)CC)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine?
The InChIKey is MBUYWYOSODSFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-14(3,4)15-11-12-7-9-13(10-8-12)16-6-2/h7-10,15H,5-6,11H2,1-4H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine?
N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 17206624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).