N,N-diethyl-4-phenylbutan-2-amine

C14H23N — CID 567866

IUPACN,N-diethyl-4-phenylbutan-2-amine
SMILESCCN(CC)C(C)CCc1ccccc1
InChIInChI=1S/C14H23N/c1-4-15(5-2)13(3)11-12-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3
InChIKeyWMUFXVLPTGMBRD-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.35
Rot. Bonds6

About N,N-diethyl-4-phenylbutan-2-amine

N,N-diethyl-4-phenylbutan-2-amine (PubChem CID 567866) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is N,N-diethyl-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-phenylbutan-2-amine
PubChem CID567866
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC NameN,N-diethyl-4-phenylbutan-2-amine
SMILESCCN(CC)C(C)CCc1ccccc1
InChIInChI=1S/C14H23N/c1-4-15(5-2)13(3)11-12-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3
InChIKeyWMUFXVLPTGMBRD-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-1-phenylpropan-2-amine
CID 521361
3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine
CID 54855366
(2R)-4-phenylbutane-2-thiol
CID 28974861
N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine
CID 70241422
N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
CID 158803245
N-methyl-4-phenyl-N-propylbutan-2-amine
CID 90881559
N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine
CID 2846550
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
CID 106624545
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
3,4-dimethylhexylbenzene
CID 72602417
2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 62880739
ethene;3-methylbutylbenzene
CID 145421013

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-phenylbutan-2-amine?
The IUPAC name of N,N-diethyl-4-phenylbutan-2-amine (CID 567866) is N,N-diethyl-4-phenylbutan-2-amine.
What is the SMILES notation for N,N-diethyl-4-phenylbutan-2-amine?
The canonical SMILES for N,N-diethyl-4-phenylbutan-2-amine is CCN(CC)C(C)CCc1ccccc1.
What is the InChIKey of N,N-diethyl-4-phenylbutan-2-amine?
The InChIKey is WMUFXVLPTGMBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-15(5-2)13(3)11-12-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3.
What are the key properties of N,N-diethyl-4-phenylbutan-2-amine?
N,N-diethyl-4-phenylbutan-2-amine has a molecular weight of 205.35 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-phenylbutan-2-amine is sourced from PubChem (CID 567866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).