N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine

C15H25NO — CID 62394669

IUPACN-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine
SMILESCCNC(CCOc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H25NO/c1-5-16-14(15(2,3)4)11-12-17-13-9-7-6-8-10-13/h6-10,14,16H,5,11-12H2,1-4H3
InChIKeyTUYSGECBXANNFV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.48
Rot. Bonds6

About N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine

N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine (PubChem CID 62394669) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine
PubChem CID62394669
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine
SMILESCCNC(CCOc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H25NO/c1-5-16-14(15(2,3)4)11-12-17-13-9-7-6-8-10-13/h6-10,14,16H,5,11-12H2,1-4H3
InChIKeyTUYSGECBXANNFV-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808
N-ethyl-1-(furan-3-yl)-3-phenoxypropan-1-amine
CID 63948564
4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
CID 115001987
N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79825125
N-[3,3-dimethyl-2-(2-phenoxyethyl)butyl]cyclopropanamine
CID 83139427
1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
CID 55155916
6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine
CID 64568024
(3R)-1-phenoxyhexan-3-ol
CID 102063151
N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine
CID 64566607
1-(3-bromophenyl)-N-ethyl-4-phenoxybutan-2-amine
CID 60798298
4-(3-tert-butylphenoxy)-2-(ethylamino)butanoic acid
CID 63035655
1,5-diphenoxypentan-3-ol
CID 5314309

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine (CID 62394669) is N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine is CCNC(CCOc1ccccc1)C(C)(C)C.
What is the InChIKey of N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine?
The InChIKey is TUYSGECBXANNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-16-14(15(2,3)4)11-12-17-13-9-7-6-8-10-13/h6-10,14,16H,5,11-12H2,1-4H3.
What are the key properties of N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine?
N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine is sourced from PubChem (CID 62394669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).