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

C17H29NO — CID 55195060

IUPACN-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine
SMILESCCNCC(Oc1ccc(C(C)C)c(C)c1)C(C)C
InChIInChI=1S/C17H29NO/c1-7-18-11-17(13(4)5)19-15-8-9-16(12(2)3)14(6)10-15/h8-10,12-13,17-18H,7,11H2,1-6H3
InChIKeyGYCPXKSAUDBMFA-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.13
Rot. Bonds7

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

N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine (PubChem CID 55195060) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine
PubChem CID55195060
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine
SMILESCCNCC(Oc1ccc(C(C)C)c(C)c1)C(C)C
InChIInChI=1S/C17H29NO/c1-7-18-11-17(13(4)5)19-15-8-9-16(12(2)3)14(6)10-15/h8-10,12-13,17-18H,7,11H2,1-6H3
InChIKeyGYCPXKSAUDBMFA-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62486153
2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453543
N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine
CID 63491979
N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine
CID 63505904
1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 66335781
2-(3-ethoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62442572
2-(4-bromo-3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 107726433
3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63498370
2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
CID 43808807
2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62454884

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine (CID 55195060) is N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine is CCNCC(Oc1ccc(C(C)C)c(C)c1)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine?
The InChIKey is GYCPXKSAUDBMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-18-11-17(13(4)5)19-15-8-9-16(12(2)3)14(6)10-15/h8-10,12-13,17-18H,7,11H2,1-6H3.
What are the key properties of N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine?
N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.13, 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-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine is sourced from PubChem (CID 55195060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).