1-(3-chlorophenyl)-1-hexoxypropan-2-amine

C15H24ClNO — CID 55019805

IUPAC1-(3-chlorophenyl)-1-hexoxypropan-2-amine
SMILESCCCCCCOC(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C15H24ClNO/c1-3-4-5-6-10-18-15(12(2)17)13-8-7-9-14(16)11-13/h7-9,11-12,15H,3-6,10,17H2,1-2H3
InChIKeyYKMYTUQUCVMFLB-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.33
Rot. Bonds8

About 1-(3-chlorophenyl)-1-hexoxypropan-2-amine

1-(3-chlorophenyl)-1-hexoxypropan-2-amine (PubChem CID 55019805) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-hexoxypropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-hexoxypropan-2-amine
PubChem CID55019805
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(3-chlorophenyl)-1-hexoxypropan-2-amine
SMILESCCCCCCOC(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C15H24ClNO/c1-3-4-5-6-10-18-15(12(2)17)13-8-7-9-14(16)11-13/h7-9,11-12,15H,3-6,10,17H2,1-2H3
InChIKeyYKMYTUQUCVMFLB-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 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 ≤ 54.33
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-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine
CID 55019323
1-(3-fluorophenyl)-1-octoxypropan-2-amine
CID 63459739
1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine
CID 55019946
1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine
CID 114208291
1-(3-chlorophenyl)decan-1-amine
CID 63412045
1-(3-chlorophenyl)undecan-1-amine
CID 63411961
1-(4-bromophenyl)-1-heptoxypropan-2-amine
CID 63460089
2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine
CID 63474835
1-hexoxy-1-(4-methoxyphenyl)propan-2-amine
CID 55016012
1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine
CID 55019758
(1S)-1-(3-chlorophenyl)hexan-1-amine;hydrochloride
CID 171219101
1-(3-bromophenyl)-1-octoxybutan-2-amine
CID 63459741

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-hexoxypropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-hexoxypropan-2-amine (CID 55019805) is 1-(3-chlorophenyl)-1-hexoxypropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-hexoxypropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-hexoxypropan-2-amine is CCCCCCOC(c1cccc(Cl)c1)C(C)N.
What is the InChIKey of 1-(3-chlorophenyl)-1-hexoxypropan-2-amine?
The InChIKey is YKMYTUQUCVMFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-3-4-5-6-10-18-15(12(2)17)13-8-7-9-14(16)11-13/h7-9,11-12,15H,3-6,10,17H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-1-hexoxypropan-2-amine?
1-(3-chlorophenyl)-1-hexoxypropan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-hexoxypropan-2-amine is sourced from PubChem (CID 55019805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).