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

C14H23N — CID 17206654

IUPACN-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine
SMILESCCc1ccc(CNC(C)(C)CC)cc1
InChIInChI=1S/C14H23N/c1-5-12-7-9-13(10-8-12)11-15-14(3,4)6-2/h7-10,15H,5-6,11H2,1-4H3
InChIKeyMZVQTQXSYODQKB-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.53
Rot. Bonds5

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

N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine (PubChem CID 17206654) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine
PubChem CID17206654
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine
SMILESCCc1ccc(CNC(C)(C)CC)cc1
InChIInChI=1S/C14H23N/c1-5-12-7-9-13(10-8-12)11-15-14(3,4)6-2/h7-10,15H,5-6,11H2,1-4H3
InChIKeyMZVQTQXSYODQKB-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 17206624
N-[(4-ethylphenyl)methyl]-2-methylbut-3-yn-2-amine
CID 63997117
2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
CID 79801788
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol
CID 103828079
1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222199
[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
CID 103947270
N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine
CID 106328638
2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
CID 61045809
N-[[3-(difluoromethyl)phenyl]methyl]-2-methylbutan-2-amine
CID 115525884
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine (CID 17206654) is N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine is CCc1ccc(CNC(C)(C)CC)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine?
The InChIKey is MZVQTQXSYODQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-12-7-9-13(10-8-12)11-15-14(3,4)6-2/h7-10,15H,5-6,11H2,1-4H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine?
N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine has a molecular weight of 205.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 17206654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).