N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine

C16H27NO2 — CID 79547344

IUPACN-(2,2-diethoxyethyl)-1-phenylbutan-2-amine
SMILESCCOC(CNC(CC)Cc1ccccc1)OCC
InChIInChI=1S/C16H27NO2/c1-4-15(12-14-10-8-7-9-11-14)17-13-16(18-5-2)19-6-3/h7-11,15-17H,4-6,12-13H2,1-3H3
InChIKeyCWLYNCGWZULIGH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.00
Rot. Bonds10

About N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine

N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine (PubChem CID 79547344) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-1-phenylbutan-2-amine
PubChem CID79547344
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-(2,2-diethoxyethyl)-1-phenylbutan-2-amine
SMILESCCOC(CNC(CC)Cc1ccccc1)OCC
InChIInChI=1S/C16H27NO2/c1-4-15(12-14-10-8-7-9-11-14)17-13-16(18-5-2)19-6-3/h7-11,15-17H,4-6,12-13H2,1-3H3
InChIKeyCWLYNCGWZULIGH-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
CID 79007730
N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
CID 63478564
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
N-methoxy-1-phenylbutan-2-amine
CID 82707148
(2-ethoxy-2-phenoxyethyl)benzene
CID 54511534
N-(3-methoxypropyl)-1-phenylbutan-2-amine
CID 79007280
N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195
N-(2,2-diethoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 79548467
N-(4-methoxybutyl)-1-phenylbutan-2-amine
CID 79008478
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine
CID 79008482
(2S)-1-phenyl-N-phenylmethoxybutan-2-amine
CID 124575121
3-(1-phenylbutan-2-ylamino)propanenitrile
CID 79007282

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine (CID 79547344) is N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine is CCOC(CNC(CC)Cc1ccccc1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine?
The InChIKey is CWLYNCGWZULIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-15(12-14-10-8-7-9-11-14)17-13-16(18-5-2)19-6-3/h7-11,15-17H,4-6,12-13H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine?
N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine is sourced from PubChem (CID 79547344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).