1-(3-chlorophenoxy)-N-ethylnonan-2-amine

C17H28ClNO — CID 105124587

IUPAC1-(3-chlorophenoxy)-N-ethylnonan-2-amine
SMILESCCCCCCCC(COc1cccc(Cl)c1)NCC
InChIInChI=1S/C17H28ClNO/c1-3-5-6-7-8-11-16(19-4-2)14-20-17-12-9-10-15(18)13-17/h9-10,12-13,16,19H,3-8,11,14H2,1-2H3
InChIKeyBIYXNGRATHXQKS-UHFFFAOYSA-N
MW297.87 g/mol
LogP5.06
Rot. Bonds11

About 1-(3-chlorophenoxy)-N-ethylnonan-2-amine

1-(3-chlorophenoxy)-N-ethylnonan-2-amine (PubChem CID 105124587) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-N-ethylnonan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-N-ethylnonan-2-amine
PubChem CID105124587
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name1-(3-chlorophenoxy)-N-ethylnonan-2-amine
SMILESCCCCCCCC(COc1cccc(Cl)c1)NCC
InChIInChI=1S/C17H28ClNO/c1-3-5-6-7-8-11-16(19-4-2)14-20-17-12-9-10-15(18)13-17/h9-10,12-13,16,19H,3-8,11,14H2,1-2H3
InChIKeyBIYXNGRATHXQKS-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.87
LogP ≤ 55.06
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-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine
CID 105176967
N-ethyl-1-phenoxyhexadecan-2-amine
CID 24936576
N-ethyl-1-phenoxydecan-2-amine
CID 63416219
1-(3-chlorophenoxy)undecan-2-ol
CID 105084879
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
1-(3-chlorophenoxy)-N-ethyl-4-methylsulfonylbutan-2-amine
CID 114984084
1-(4-chlorophenoxy)-N-ethylhexan-2-amine
CID 105125264
1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 105086778
1-phenoxy-N-propyldecan-2-amine
CID 63416663
1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine
CID 105087367
N-ethyl-1-(3-methoxyphenyl)octan-2-amine
CID 62602505
3-ethoxy-N-undecan-6-ylaniline
CID 63453491

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-N-ethylnonan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-N-ethylnonan-2-amine (CID 105124587) is 1-(3-chlorophenoxy)-N-ethylnonan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-N-ethylnonan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-N-ethylnonan-2-amine is CCCCCCCC(COc1cccc(Cl)c1)NCC.
What is the InChIKey of 1-(3-chlorophenoxy)-N-ethylnonan-2-amine?
The InChIKey is BIYXNGRATHXQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-3-5-6-7-8-11-16(19-4-2)14-20-17-12-9-10-15(18)13-17/h9-10,12-13,16,19H,3-8,11,14H2,1-2H3.
What are the key properties of 1-(3-chlorophenoxy)-N-ethylnonan-2-amine?
1-(3-chlorophenoxy)-N-ethylnonan-2-amine has a molecular weight of 297.87 g/mol, XLogP of 5.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-N-ethylnonan-2-amine is sourced from PubChem (CID 105124587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).