N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine

C14H23N — CID 62726135

IUPACN-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine
SMILESCCNCC(C)(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H23N/c1-5-15-11-14(3,4)10-13-8-6-12(2)7-9-13/h6-9,15H,5,10-11H2,1-4H3
InChIKeyCKVZHKWEXKWGII-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.17
Rot. Bonds5

About N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine

N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine (PubChem CID 62726135) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine
PubChem CID62726135
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine
SMILESCCNCC(C)(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H23N/c1-5-15-11-14(3,4)10-13-8-6-12(2)7-9-13/h6-9,15H,5,10-11H2,1-4H3
InChIKeyCKVZHKWEXKWGII-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2,2-dimethyl-4-(4-methylphenyl)butan-1-amine
CID 65308675
2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 62724741
[2,2-dimethyl-3-(4-methylphenyl)propyl]urea
CID 20825966
4-[2,2-dimethyl-3-(4-methylphenyl)propyl]aniline
CID 170390648
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62723481
1-(2,2-dimethylpent-4-enyl)-4-methylbenzene
CID 20825972
3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 104810566
3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62725326
1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol
CID 66038175
1-(4-bromo-2,2-dimethylpentyl)-4-methylbenzene
CID 64716858
3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627041

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine (CID 62726135) is N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine is CCNCC(C)(C)Cc1ccc(C)cc1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine?
The InChIKey is CKVZHKWEXKWGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-15-11-14(3,4)10-13-8-6-12(2)7-9-13/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine?
N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 62726135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).