2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine

C17H29N — CID 63508982

IUPAC2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCCC(CC)(CNC(C)C)Cc1cccc(C)c1
InChIInChI=1S/C17H29N/c1-6-17(7-2,13-18-14(3)4)12-16-10-8-9-15(5)11-16/h8-11,14,18H,6-7,12-13H2,1-5H3
InChIKeyNMHNRFLSOPRNGQ-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.34
Rot. Bonds7

About 2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine

2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine (PubChem CID 63508982) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
PubChem CID63508982
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCCC(CC)(CNC(C)C)Cc1cccc(C)c1
InChIInChI=1S/C17H29N/c1-6-17(7-2,13-18-14(3)4)12-16-10-8-9-15(5)11-16/h8-11,14,18H,6-7,12-13H2,1-5H3
InChIKeyNMHNRFLSOPRNGQ-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 65491309
2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine
CID 63509501
2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 55096001
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
N-ethyl-4,4-dimethyl-5-(3-methylphenyl)pentan-2-amine
CID 64717868
2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726299
2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 81419089
3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 107897187
1-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-3-methylbenzene
CID 79453279
2,3-dimethyl-1-(3-methylphenyl)butan-2-ol
CID 60798225
3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine
CID 54896933
3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529354

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine (CID 63508982) is 2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine is CCC(CC)(CNC(C)C)Cc1cccc(C)c1.
What is the InChIKey of 2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine?
The InChIKey is NMHNRFLSOPRNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-17(7-2,13-18-14(3)4)12-16-10-8-9-15(5)11-16/h8-11,14,18H,6-7,12-13H2,1-5H3.
What are the key properties of 2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine?
2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 63508982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).