N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine

C16H23BrClNO — CID 43494075

IUPACN-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Br)c1OC)C1CCCC1
InChIInChI=1S/C16H23BrClNO/c1-3-8-19-15(11-6-4-5-7-11)13-9-12(18)10-14(17)16(13)20-2/h9-11,15,19H,3-8H2,1-2H3
InChIKeyHSLJOFXJHDTHRT-UHFFFAOYSA-N
MW360.72 g/mol
LogP5.34
Rot. Bonds6

About N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine

N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine (PubChem CID 43494075) has the molecular formula C16H23BrClNO and a molecular weight of 360.72 g/mol. Its IUPAC name is N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine
PubChem CID43494075
Molecular FormulaC16H23BrClNO
Molecular Weight360.72 g/mol
Exact Mass359.07
IUPAC NameN-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Br)c1OC)C1CCCC1
InChIInChI=1S/C16H23BrClNO/c1-3-8-19-15(11-6-4-5-7-11)13-9-12(18)10-14(17)16(13)20-2/h9-11,15,19H,3-8H2,1-2H3
InChIKeyHSLJOFXJHDTHRT-UHFFFAOYSA-N
XLogP5.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.72
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761
(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
CID 61100157
N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981230
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine
CID 103162683
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
CID 61100159
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 43493938
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027676
N-[(3-bromo-5-chloro-2-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494050
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497782
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81329814

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine (CID 43494075) is N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine is CCCNC(c1cc(Cl)cc(Br)c1OC)C1CCCC1.
What is the InChIKey of N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine?
The InChIKey is HSLJOFXJHDTHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNO/c1-3-8-19-15(11-6-4-5-7-11)13-9-12(18)10-14(17)16(13)20-2/h9-11,15,19H,3-8H2,1-2H3.
What are the key properties of N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine?
N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine has a molecular weight of 360.72 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine is sourced from PubChem (CID 43494075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).