1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine

C17H25Cl2NO — CID 64774236

IUPAC1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine
SMILESCCC1CCC(Oc2c(Cl)cc(Cl)cc2CC(C)N)CC1
InChIInChI=1S/C17H25Cl2NO/c1-3-12-4-6-15(7-5-12)21-17-13(8-11(2)20)9-14(18)10-16(17)19/h9-12,15H,3-8,20H2,1-2H3
InChIKeyUQUIDCLALYOJBN-UHFFFAOYSA-N
MW330.30 g/mol
LogP5.23
Rot. Bonds5

About 1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine

1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine (PubChem CID 64774236) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine
PubChem CID64774236
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine
SMILESCCC1CCC(Oc2c(Cl)cc(Cl)cc2CC(C)N)CC1
InChIInChI=1S/C17H25Cl2NO/c1-3-12-4-6-15(7-5-12)21-17-13(8-11(2)20)9-14(18)10-16(17)19/h9-12,15H,3-8,20H2,1-2H3
InChIKeyUQUIDCLALYOJBN-UHFFFAOYSA-N
XLogP5.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-[3,5-dibromo-4-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 107739848
1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 115958578
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
CID 61483531
1-[3,5-dichloro-2-(oxan-3-yloxy)phenyl]butan-2-amine
CID 107137127
[3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64749120
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421886
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
CID 117387846
(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine
CID 43515648
2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748532
2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114861531

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine?
The IUPAC name of 1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine (CID 64774236) is 1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine is CCC1CCC(Oc2c(Cl)cc(Cl)cc2CC(C)N)CC1.
What is the InChIKey of 1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine?
The InChIKey is UQUIDCLALYOJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-3-12-4-6-15(7-5-12)21-17-13(8-11(2)20)9-14(18)10-16(17)19/h9-12,15H,3-8,20H2,1-2H3.
What are the key properties of 1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine?
1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine has a molecular weight of 330.30 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine is sourced from PubChem (CID 64774236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).