2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine

C16H27N — CID 62594549

IUPAC2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
SMILESCCC(CC)(CNCC(C)C)c1ccccc1
InChIInChI=1S/C16H27N/c1-5-16(6-2,13-17-12-14(3)4)15-10-8-7-9-11-15/h7-11,14,17H,5-6,12-13H2,1-4H3
InChIKeyUIDDBVFYDQPFKP-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.99
Rot. Bonds7

About 2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine

2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine (PubChem CID 62594549) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
PubChem CID62594549
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
SMILESCCC(CC)(CNCC(C)C)c1ccccc1
InChIInChI=1S/C16H27N/c1-5-16(6-2,13-17-12-14(3)4)15-10-8-7-9-11-15/h7-11,14,17H,5-6,12-13H2,1-4H3
InChIKeyUIDDBVFYDQPFKP-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 82926022
2-ethyl-N-(2-methylpropyl)-2-phenyl-4-propan-2-yloxybutan-1-amine
CID 62725451
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 62596018
2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63517002
2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63516669
2-(2-chlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63515522
2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 63508115
4-[[(2-ethyl-2-phenylbutyl)amino]methyl]benzoic acid
CID 122031703
2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63512438
2-ethyl-2-methyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 55107238
N,2-diethyl-2-phenyldecan-1-amine
CID 63507626

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine (CID 62594549) is 2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine is CCC(CC)(CNCC(C)C)c1ccccc1.
What is the InChIKey of 2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine?
The InChIKey is UIDDBVFYDQPFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-16(6-2,13-17-12-14(3)4)15-10-8-7-9-11-15/h7-11,14,17H,5-6,12-13H2,1-4H3.
What are the key properties of 2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine?
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 62594549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).