N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine

C17H29NO — CID 103984585

IUPACN-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine
SMILESCCOCC(CC)(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29NO/c1-6-17(14-19-7-2,13-18-16(3,4)5)15-11-9-8-10-12-15/h8-12,18H,6-7,13-14H2,1-5H3
InChIKeyCXGNVOJBIIWCIR-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.76
Rot. Bonds7

About N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine

N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine (PubChem CID 103984585) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine
PubChem CID103984585
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine
SMILESCCOCC(CC)(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29NO/c1-6-17(14-19-7-2,13-18-16(3,4)5)15-11-9-8-10-12-15/h8-12,18H,6-7,13-14H2,1-5H3
InChIKeyCXGNVOJBIIWCIR-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethoxymethyl)-N-methyl-2-phenylbutan-1-amine
CID 103984577
(2-ethoxy-1,1-diphenylethyl)benzene
CID 58693364
2-phenyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106706027
1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine
CID 65041408
2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 62596018
2-(cyclopropylmethoxymethyl)-2-phenyl-N-propan-2-ylbutan-1-amine
CID 106930773
1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol
CID 103466071
[1-chloro-2-(2,2,2-trifluoroethoxymethyl)butan-2-yl]benzene
CID 106706529
3-ethoxy-2-methyl-2-phenylpropanoic acid
CID 174890846
2-ethylperoxypropan-2-ylbenzene
CID 14923166
5-ethoxy-2-ethyl-2-phenylpentan-1-amine
CID 65180695
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine (CID 103984585) is N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine is CCOCC(CC)(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine?
The InChIKey is CXGNVOJBIIWCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-17(14-19-7-2,13-18-16(3,4)5)15-11-9-8-10-12-15/h8-12,18H,6-7,13-14H2,1-5H3.
What are the key properties of N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine?
N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 103984585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).