1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine

C18H28ClNO — CID 114322092

IUPAC1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1OC1CCCC(CC)C1
InChIInChI=1S/C18H28ClNO/c1-3-13-7-5-8-15(11-13)21-18-10-6-9-17(19)16(18)12-14(20)4-2/h6,9-10,13-15H,3-5,7-8,11-12,20H2,1-2H3
InChIKeyYRQJGLUTYCHCJY-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.97
Rot. Bonds6

About 1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine

1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine (PubChem CID 114322092) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine
PubChem CID114322092
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1OC1CCCC(CC)C1
InChIInChI=1S/C18H28ClNO/c1-3-13-7-5-8-15(11-13)21-18-10-6-9-17(19)16(18)12-14(20)4-2/h6,9-10,13-15H,3-5,7-8,11-12,20H2,1-2H3
InChIKeyYRQJGLUTYCHCJY-UHFFFAOYSA-N
XLogP4.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-(3-ethylcyclohexyl)oxybenzene
CID 64763442
1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine
CID 114322036
1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine
CID 114321808
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958827
1-(2-chloro-6-ethoxyphenyl)butan-2-amine
CID 114322005
1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 114321969
1-(2-cyclohexyloxyphenyl)butan-2-amine
CID 54930577
2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63815860
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705
1-[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]butan-2-amine
CID 113277161
1-[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-amine
CID 114322152
ethyl 2-[2-(2-aminobutyl)-3-chlorophenoxy]propanoate
CID 114322013

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine?
The IUPAC name of 1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine (CID 114322092) is 1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine is CCC(N)Cc1c(Cl)cccc1OC1CCCC(CC)C1.
What is the InChIKey of 1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine?
The InChIKey is YRQJGLUTYCHCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-3-13-7-5-8-15(11-13)21-18-10-6-9-17(19)16(18)12-14(20)4-2/h6,9-10,13-15H,3-5,7-8,11-12,20H2,1-2H3.
What are the key properties of 1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine?
1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine has a molecular weight of 309.88 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine is sourced from PubChem (CID 114322092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).