N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine

C17H26BrNO — CID 63533305

IUPACN-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OC2CCCCC2)c(Br)c1
InChIInChI=1S/C17H26BrNO/c1-3-11-19-13(2)14-9-10-17(16(18)12-14)20-15-7-5-4-6-8-15/h9-10,12-13,15,19H,3-8,11H2,1-2H3
InChIKeyBCQSFXNLRNPANP-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.22
Rot. Bonds6

About N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine

N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine (PubChem CID 63533305) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine
PubChem CID63533305
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OC2CCCCC2)c(Br)c1
InChIInChI=1S/C17H26BrNO/c1-3-11-19-13(2)14-9-10-17(16(18)12-14)20-15-7-5-4-6-8-15/h9-10,12-13,15,19H,3-8,11H2,1-2H3
InChIKeyBCQSFXNLRNPANP-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 63532113
(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
CID 78937703
1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
CID 63532897
N-[(3-bromo-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63501039
N-[1-(2-cyclopentyloxy-5-fluorophenyl)ethyl]propan-1-amine
CID 43284936
N-[1-[3-bromo-4-(cyclopentylmethylsulfanyl)phenyl]ethyl]propan-1-amine
CID 63532769
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63314672
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine
CID 63045521
N-[1-[3-bromo-4-(3-methoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 102959023
N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine
CID 55131505
N-[1-(3-bromo-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 55130910
N-[1-[3-bromo-4-(4-chlorophenoxy)phenyl]ethyl]propan-1-amine
CID 63533629

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine (CID 63533305) is N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine is CCCNC(C)c1ccc(OC2CCCCC2)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine?
The InChIKey is BCQSFXNLRNPANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-3-11-19-13(2)14-9-10-17(16(18)12-14)20-15-7-5-4-6-8-15/h9-10,12-13,15,19H,3-8,11H2,1-2H3.
What are the key properties of N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine?
N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63533305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).