N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine

C18H29NO — CID 107009776

IUPACN-ethyl-1-methoxy-1-phenylnon-8-en-2-amine
SMILESC=CCCCCCC(NCC)C(OC)c1ccccc1
InChIInChI=1S/C18H29NO/c1-4-6-7-8-12-15-17(19-5-2)18(20-3)16-13-10-9-11-14-16/h4,9-11,13-14,17-19H,1,5-8,12,15H2,2-3H3
InChIKeyFSZYPWCCNSEDRF-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.49
Rot. Bonds11

About N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine

N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine (PubChem CID 107009776) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-1-phenylnon-8-en-2-amine
PubChem CID107009776
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-1-methoxy-1-phenylnon-8-en-2-amine
SMILESC=CCCCCCC(NCC)C(OC)c1ccccc1
InChIInChI=1S/C18H29NO/c1-4-6-7-8-12-15-17(19-5-2)18(20-3)16-13-10-9-11-14-16/h4,9-11,13-14,17-19H,1,5-8,12,15H2,2-3H3
InChIKeyFSZYPWCCNSEDRF-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine
CID 116773842
1-ethoxy-N-ethyl-1-phenylheptan-2-amine
CID 116773710
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
N-ethyl-7-methyl-6-phenylnon-1-en-5-amine
CID 104987637
tetradec-13-en-7-ylbenzene
CID 140694824
2-phenyl-N-propyloct-7-en-3-amine
CID 114029106
2-methyl-1-phenylnon-8-en-1-ol
CID 107010040
N-ethyl-7-methoxy-2-phenylheptan-3-amine
CID 112754792
N-ethyl-1,1-diphenylpent-4-en-2-amine
CID 61380727
4-methoxy-N-methyldodec-11-en-5-amine
CID 107009691
1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine
CID 116773735

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine?
The IUPAC name of N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine (CID 107009776) is N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine is C=CCCCCCC(NCC)C(OC)c1ccccc1.
What is the InChIKey of N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine?
The InChIKey is FSZYPWCCNSEDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-6-7-8-12-15-17(19-5-2)18(20-3)16-13-10-9-11-14-16/h4,9-11,13-14,17-19H,1,5-8,12,15H2,2-3H3.
What are the key properties of N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine?
N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.49, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine is sourced from PubChem (CID 107009776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).