1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine

C15H24ClNO — CID 55222844

IUPAC1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine
SMILESCCCCCCOc1ccc(C(C)NC)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-5-6-7-10-18-15-9-8-13(11-14(15)16)12(2)17-3/h8-9,11-12,17H,4-7,10H2,1-3H3
InChIKeyZNYUGXPZROEZGR-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.58
Rot. Bonds8

About 1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine

1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine (PubChem CID 55222844) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine
PubChem CID55222844
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine
SMILESCCCCCCOc1ccc(C(C)NC)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-5-6-7-10-18-15-9-8-13(11-14(15)16)12(2)17-3/h8-9,11-12,17H,4-7,10H2,1-3H3
InChIKeyZNYUGXPZROEZGR-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.58
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

6-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702855
1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine
CID 62911552
1-(3-chloro-4-hexoxyphenyl)ethanamine
CID 55130353
1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine
CID 106722519
1-[3-chloro-4-(3-phenylpropoxy)phenyl]-N-methylethanamine
CID 62912780
1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine
CID 82954132
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
1-(4-butoxy-3-chlorophenyl)ethanol
CID 91632940
4-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-1-ol
CID 113389746
1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
CID 62911050
N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740312

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine (CID 55222844) is 1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine is CCCCCCOc1ccc(C(C)NC)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine?
The InChIKey is ZNYUGXPZROEZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-5-6-7-10-18-15-9-8-13(11-14(15)16)12(2)17-3/h8-9,11-12,17H,4-7,10H2,1-3H3.
What are the key properties of 1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine?
1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine has a molecular weight of 269.82 g/mol, XLogP of 4.58, 8 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)-N-methylethanamine is sourced from PubChem (CID 55222844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).