2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine

C16H27NO — CID 106456783

IUPAC2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
SMILESCCC(CN)(CCOCC(C)C)c1ccccc1
InChIInChI=1S/C16H27NO/c1-4-16(13-17,10-11-18-12-14(2)3)15-8-6-5-7-9-15/h5-9,14H,4,10-13,17H2,1-3H3
InChIKeyCDMFDDGDELDVTL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.36
Rot. Bonds8

About 2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine

2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine (PubChem CID 106456783) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
PubChem CID106456783
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
SMILESCCC(CN)(CCOCC(C)C)c1ccccc1
InChIInChI=1S/C16H27NO/c1-4-16(13-17,10-11-18-12-14(2)3)15-8-6-5-7-9-15/h5-9,14H,4,10-13,17H2,1-3H3
InChIKeyCDMFDDGDELDVTL-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(bromomethyl)-1-(2-methylpropoxy)pentan-3-yl]benzene
CID 106459607
5-ethoxy-2-ethyl-2-phenylpentan-1-amine
CID 65180695
2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol
CID 106508031
2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol
CID 66060643
2-phenyl-2-(trimethylsilylmethyl)butan-1-amine
CID 106323367
(3-ethyl-3-phenylpentyl) acetate
CID 142276896
2-ethyl-N-(2-methylpropyl)-2-phenyl-4-propan-2-yloxybutan-1-amine
CID 62725451
2-(aminomethyl)-4-methyl-2-phenylpentan-1-ol
CID 106508028
2-methyl-4-(3-methylbutoxy)-2-phenylbutane-1,3-diamine
CID 141301044
2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine
CID 106456779
(E)-2-ethyl-2-phenylhex-4-en-1-amine
CID 134877225
2-amino-4-(2-methylpentoxy)-2-phenylbutanenitrile
CID 103284840

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine?
The IUPAC name of 2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine (CID 106456783) is 2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine.
What is the SMILES notation for 2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine?
The canonical SMILES for 2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine is CCC(CN)(CCOCC(C)C)c1ccccc1.
What is the InChIKey of 2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine?
The InChIKey is CDMFDDGDELDVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-16(13-17,10-11-18-12-14(2)3)15-8-6-5-7-9-15/h5-9,14H,4,10-13,17H2,1-3H3.
What are the key properties of 2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine?
2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine is sourced from PubChem (CID 106456783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).