1-ethoxy-N-ethyl-1-phenylheptan-2-amine

C17H29NO — CID 116773710

IUPAC1-ethoxy-N-ethyl-1-phenylheptan-2-amine
SMILESCCCCCC(NCC)C(OCC)c1ccccc1
InChIInChI=1S/C17H29NO/c1-4-7-9-14-16(18-5-2)17(19-6-3)15-12-10-8-11-13-15/h8,10-13,16-18H,4-7,9,14H2,1-3H3
InChIKeyVINVYJLZYGCXHT-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.32
Rot. Bonds10

About 1-ethoxy-N-ethyl-1-phenylheptan-2-amine

1-ethoxy-N-ethyl-1-phenylheptan-2-amine (PubChem CID 116773710) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-ethoxy-N-ethyl-1-phenylheptan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-ethyl-1-phenylheptan-2-amine
PubChem CID116773710
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-ethoxy-N-ethyl-1-phenylheptan-2-amine
SMILESCCCCCC(NCC)C(OCC)c1ccccc1
InChIInChI=1S/C17H29NO/c1-4-7-9-14-16(18-5-2)17(19-6-3)15-12-10-8-11-13-15/h8,10-13,16-18H,4-7,9,14H2,1-3H3
InChIKeyVINVYJLZYGCXHT-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.32
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

1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine
CID 116773735
3-cyclopentyl-1-ethoxy-N-ethyl-1-phenylpropan-2-amine
CID 116773746
1-ethoxy-N-ethyl-3-(furan-3-yl)-1-phenylpropan-2-amine
CID 116773731
1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine
CID 116773842
1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine
CID 116773836
1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 116773805
1-ethoxydecylbenzene
CID 71423896
N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine
CID 107009776
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
2-ethoxy-N-ethylundecan-3-amine
CID 64535007
N-ethyl-7-methoxy-2-phenylheptan-3-amine
CID 112754792
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-ethyl-1-phenylheptan-2-amine?
The IUPAC name of 1-ethoxy-N-ethyl-1-phenylheptan-2-amine (CID 116773710) is 1-ethoxy-N-ethyl-1-phenylheptan-2-amine.
What is the SMILES notation for 1-ethoxy-N-ethyl-1-phenylheptan-2-amine?
The canonical SMILES for 1-ethoxy-N-ethyl-1-phenylheptan-2-amine is CCCCCC(NCC)C(OCC)c1ccccc1.
What is the InChIKey of 1-ethoxy-N-ethyl-1-phenylheptan-2-amine?
The InChIKey is VINVYJLZYGCXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-7-9-14-16(18-5-2)17(19-6-3)15-12-10-8-11-13-15/h8,10-13,16-18H,4-7,9,14H2,1-3H3.
What are the key properties of 1-ethoxy-N-ethyl-1-phenylheptan-2-amine?
1-ethoxy-N-ethyl-1-phenylheptan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-ethyl-1-phenylheptan-2-amine is sourced from PubChem (CID 116773710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).