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

C16H24BrNO — CID 114544000

IUPACN-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCCCOc1ccc(Br)cc1CNC1CCC(C)C1
InChIInChI=1S/C16H24BrNO/c1-3-8-19-16-7-5-14(17)10-13(16)11-18-15-6-4-12(2)9-15/h5,7,10,12,15,18H,3-4,6,8-9,11H2,1-2H3
InChIKeyRFLSBOZRWRDUAR-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.52
Rot. Bonds6

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

N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 114544000) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
PubChem CID114544000
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCCCOc1ccc(Br)cc1CNC1CCC(C)C1
InChIInChI=1S/C16H24BrNO/c1-3-8-19-16-7-5-14(17)10-13(16)11-18-15-6-4-12(2)9-15/h5,7,10,12,15,18H,3-4,6,8-9,11H2,1-2H3
InChIKeyRFLSBOZRWRDUAR-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-propoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081811
N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine
CID 61482948
N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 113227437
N-[[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]cyclopropanamine
CID 103408983
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
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide
CID 63890091
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine (CID 114544000) is N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine is CCCOc1ccc(Br)cc1CNC1CCC(C)C1.
What is the InChIKey of N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is RFLSBOZRWRDUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-8-19-16-7-5-14(17)10-13(16)11-18-15-6-4-12(2)9-15/h5,7,10,12,15,18H,3-4,6,8-9,11H2,1-2H3.
What are the key properties of N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine?
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 114544000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).