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

C14H23NO2 — CID 79007730

IUPACN-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCC(OC)OC
InChIInChI=1S/C14H23NO2/c1-4-13(15-11-14(16-2)17-3)10-12-8-6-5-7-9-12/h5-9,13-15H,4,10-11H2,1-3H3
InChIKeyJQYNHVHXEXETIT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.22
Rot. Bonds8

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

N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine (PubChem CID 79007730) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
PubChem CID79007730
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCC(OC)OC
InChIInChI=1S/C14H23NO2/c1-4-13(15-11-14(16-2)17-3)10-12-8-6-5-7-9-12/h5-9,13-15H,4,10-11H2,1-3H3
InChIKeyJQYNHVHXEXETIT-UHFFFAOYSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.22
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-diethoxyethyl)-1-phenylbutan-2-amine
CID 79547344
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
N-methoxy-1-phenylbutan-2-amine
CID 82707148
N-(3-methoxypropyl)-1-phenylbutan-2-amine
CID 79007280
N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
CID 63478564
(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
N-(4-methoxybutyl)-1-phenylbutan-2-amine
CID 79008478
2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine
CID 102697099
N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
(2S)-N-(2,2-dimethoxyethyl)-1-methoxy-4-phenylmethoxybutan-2-amine
CID 67080067
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylbutan-2-amine
CID 79008482

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine (CID 79007730) is N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine is CCC(Cc1ccccc1)NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine?
The InChIKey is JQYNHVHXEXETIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-13(15-11-14(16-2)17-3)10-12-8-6-5-7-9-12/h5-9,13-15H,4,10-11H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine?
N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine is sourced from PubChem (CID 79007730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).