N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine

C16H24BrNO2 — CID 103081811

IUPACN-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
SMILESCCCOc1ccc(Br)cc1CNC1CCC(OC)C1
InChIInChI=1S/C16H24BrNO2/c1-3-8-20-16-7-4-13(17)9-12(16)11-18-14-5-6-15(10-14)19-2/h4,7,9,14-15,18H,3,5-6,8,10-11H2,1-2H3
InChIKeyVTJBVDJAHCIXIW-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.89
Rot. Bonds7

About N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine

N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine (PubChem CID 103081811) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
PubChem CID103081811
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
SMILESCCCOc1ccc(Br)cc1CNC1CCC(OC)C1
InChIInChI=1S/C16H24BrNO2/c1-3-8-20-16-7-4-13(17)9-12(16)11-18-14-5-6-15(10-14)19-2/h4,7,9,14-15,18H,3,5-6,8,10-11H2,1-2H3
InChIKeyVTJBVDJAHCIXIW-UHFFFAOYSA-N
XLogP3.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 114544000
N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine
CID 61482948
N-[[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]cyclopropanamine
CID 103408983
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[(5-bromo-2-propoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580850
2-[[3-[(5-bromo-2-propoxyphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042577
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 113227437
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-ethoxycyclobutan-1-amine
CID 103917713
4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide
CID 63890091

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine?
The IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine (CID 103081811) is N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine?
The canonical SMILES for N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine is CCCOc1ccc(Br)cc1CNC1CCC(OC)C1.
What is the InChIKey of N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine?
The InChIKey is VTJBVDJAHCIXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-3-8-20-16-7-4-13(17)9-12(16)11-18-14-5-6-15(10-14)19-2/h4,7,9,14-15,18H,3,5-6,8,10-11H2,1-2H3.
What are the key properties of N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine?
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine has a molecular weight of 342.28 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine is sourced from PubChem (CID 103081811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).