N,N-diethyl-1-phenylpropan-2-amine

C13H21N — CID 521361

IUPACN,N-diethyl-1-phenylpropan-2-amine
SMILESCCN(CC)C(C)Cc1ccccc1
InChIInChI=1S/C13H21N/c1-4-14(5-2)12(3)11-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3
InChIKeyWZQLSNAODWITCK-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.96
Rot. Bonds5

About N,N-diethyl-1-phenylpropan-2-amine

N,N-diethyl-1-phenylpropan-2-amine (PubChem CID 521361) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N,N-diethyl-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1-phenylpropan-2-amine
PubChem CID521361
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN,N-diethyl-1-phenylpropan-2-amine
SMILESCCN(CC)C(C)Cc1ccccc1
InChIInChI=1S/C13H21N/c1-4-14(5-2)12(3)11-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3
InChIKeyWZQLSNAODWITCK-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine
CID 59895630
4-[2-[benzyl(ethyl)amino]propyl]aniline
CID 82255967
3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid
CID 65060873
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine
CID 101465412
(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
CID 87517815
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
(2R)-N-bromo-N-chloro-1-phenylpropan-2-amine
CID 90999480
N-bromo-N-chloro-1-phenylpropan-2-amine
CID 143939583
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine
CID 154197554
2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane
CID 145053921

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenylpropan-2-amine?
The IUPAC name of N,N-diethyl-1-phenylpropan-2-amine (CID 521361) is N,N-diethyl-1-phenylpropan-2-amine.
What is the SMILES notation for N,N-diethyl-1-phenylpropan-2-amine?
The canonical SMILES for N,N-diethyl-1-phenylpropan-2-amine is CCN(CC)C(C)Cc1ccccc1.
What is the InChIKey of N,N-diethyl-1-phenylpropan-2-amine?
The InChIKey is WZQLSNAODWITCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-14(5-2)12(3)11-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3.
What are the key properties of N,N-diethyl-1-phenylpropan-2-amine?
N,N-diethyl-1-phenylpropan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenylpropan-2-amine is sourced from PubChem (CID 521361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).