N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine

C19H25NO — CID 63491979

IUPACN-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine
SMILESCCNCC(Oc1ccc(-c2ccccc2)cc1)C(C)C
InChIInChI=1S/C19H25NO/c1-4-20-14-19(15(2)3)21-18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,15,19-20H,4,14H2,1-3H3
InChIKeyIMPLAKJKTYYMGZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.37
Rot. Bonds7

About N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine

N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine (PubChem CID 63491979) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine
PubChem CID63491979
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine
SMILESCCNCC(Oc1ccc(-c2ccccc2)cc1)C(C)C
InChIInChI=1S/C19H25NO/c1-4-20-14-19(15(2)3)21-18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,15,19-20H,4,14H2,1-3H3
InChIKeyIMPLAKJKTYYMGZ-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine
CID 62450460
2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453543
3-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62454475
2-(3,4-dimethylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453580
2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 55076972
N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine
CID 55195060
3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077780
N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine
CID 62454913
N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62486153
N-ethyl-3-methyl-2-naphthalen-1-yloxybutan-1-amine
CID 62459225
N-[2-(ethylamino)ethyl]-2-(4-phenylphenoxy)propanamide
CID 119509338
(2S)-2-(4-phenylphenoxy)propan-1-ol
CID 57166864

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine (CID 63491979) is N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine is CCNCC(Oc1ccc(-c2ccccc2)cc1)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine?
The InChIKey is IMPLAKJKTYYMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-20-14-19(15(2)3)21-18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,15,19-20H,4,14H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine?
N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine is sourced from PubChem (CID 63491979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).