N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine

C18H31NO — CID 63473474

IUPACN-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine
SMILESCCNC(c1ccccc1)C(OCCC(C)C)C(C)C
InChIInChI=1S/C18H31NO/c1-6-19-17(16-10-8-7-9-11-16)18(15(4)5)20-13-12-14(2)3/h7-11,14-15,17-19H,6,12-13H2,1-5H3
InChIKeyQISCUIFHGAJEIA-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.42
Rot. Bonds9

About N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine

N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine (PubChem CID 63473474) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine
PubChem CID63473474
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine
SMILESCCNC(c1ccccc1)C(OCCC(C)C)C(C)C
InChIInChI=1S/C18H31NO/c1-6-19-17(16-10-8-7-9-11-16)18(15(4)5)20-13-12-14(2)3/h7-11,14-15,17-19H,6,12-13H2,1-5H3
InChIKeyQISCUIFHGAJEIA-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-2-(oxetan-3-yloxy)-1-phenylbutan-1-amine
CID 102606080
2-(2-cyclopropylethoxy)-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 106200667
[1-butoxy-2-(3-methylbutoxy)-2-phenylethyl]benzene
CID 139393088
N-ethyl-2-(3-methylbutylsulfanyl)-1-phenylbutan-1-amine
CID 107763889
1-(4-tert-butylphenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 116721324
2-ethoxy-N-ethyl-1-(4-methoxyphenyl)-3-methylbutan-1-amine
CID 116721317
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
2-methyl-3-[2-(3-methylbutoxy)propanoylamino]-3-phenylpropanoic acid
CID 119219105
N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845517
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
N-(2,2-diethoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 79548467

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine (CID 63473474) is N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine is CCNC(c1ccccc1)C(OCCC(C)C)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine?
The InChIKey is QISCUIFHGAJEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-19-17(16-10-8-7-9-11-16)18(15(4)5)20-13-12-14(2)3/h7-11,14-15,17-19H,6,12-13H2,1-5H3.
What are the key properties of N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine?
N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.42, 9 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-methylbutoxy)-1-phenylbutan-1-amine is sourced from PubChem (CID 63473474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).