1-(3-chloro-4-hexoxyphenyl)ethanamine

C14H22ClNO — CID 55130353

IUPAC1-(3-chloro-4-hexoxyphenyl)ethanamine
SMILESCCCCCCOc1ccc(C(C)N)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-3-4-5-6-9-17-14-8-7-12(11(2)16)10-13(14)15/h7-8,10-11H,3-6,9,16H2,1-2H3
InChIKeyBTRWLMVBJLUFGE-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.32
Rot. Bonds7

About 1-(3-chloro-4-hexoxyphenyl)ethanamine

1-(3-chloro-4-hexoxyphenyl)ethanamine (PubChem CID 55130353) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(3-chloro-4-hexoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-hexoxyphenyl)ethanamine
PubChem CID55130353
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(3-chloro-4-hexoxyphenyl)ethanamine
SMILESCCCCCCOc1ccc(C(C)N)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-3-4-5-6-9-17-14-8-7-12(11(2)16)10-13(14)15/h7-8,10-11H,3-6,9,16H2,1-2H3
InChIKeyBTRWLMVBJLUFGE-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
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

5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol
CID 113389772
(1S)-1-[3-chloro-4-(4-methoxybutoxy)phenyl]ethanamine
CID 113436828
1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine
CID 55222844
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
5-(1-aminoethyl)-2-heptoxyphenol
CID 67604172
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
1-[3-chloro-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 62912402
(1R)-1-[3-chloro-4-(3-phenylpropoxy)phenyl]ethanamine
CID 63369916
1-(4-butoxy-3-chlorophenyl)ethanol
CID 91632940
3-chloro-4-nonoxyaniline
CID 43129005
4-(3-chloro-4-nonoxyphenyl)butan-2-amine
CID 83951315
(1R)-1-(3-chloro-4-pent-3-ynoxyphenyl)ethanamine
CID 104805590

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hexoxyphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-4-hexoxyphenyl)ethanamine (CID 55130353) is 1-(3-chloro-4-hexoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-hexoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-hexoxyphenyl)ethanamine is CCCCCCOc1ccc(C(C)N)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-hexoxyphenyl)ethanamine?
The InChIKey is BTRWLMVBJLUFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-4-5-6-9-17-14-8-7-12(11(2)16)10-13(14)15/h7-8,10-11H,3-6,9,16H2,1-2H3.
What are the key properties of 1-(3-chloro-4-hexoxyphenyl)ethanamine?
1-(3-chloro-4-hexoxyphenyl)ethanamine has a molecular weight of 255.79 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-hexoxyphenyl)ethanamine is sourced from PubChem (CID 55130353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).