3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine

C16H23BrFN — CID 116539811

IUPAC3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(Cc2cccc(F)c2Br)C1
InChIInChI=1S/C16H23BrFN/c1-3-9-19-13-7-8-16(2,11-13)10-12-5-4-6-14(18)15(12)17/h4-6,13,19H,3,7-11H2,1-2H3
InChIKeyWVUNASRFTPUGOK-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.69
Rot. Bonds5

About 3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine

3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine (PubChem CID 116539811) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
PubChem CID116539811
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(Cc2cccc(F)c2Br)C1
InChIInChI=1S/C16H23BrFN/c1-3-9-19-13-7-8-16(2,11-13)10-12-5-4-6-14(18)15(12)17/h4-6,13,19H,3,7-11H2,1-2H3
InChIKeyWVUNASRFTPUGOK-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539573
3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539610
3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 116539638
3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine
CID 106273067
N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine
CID 105375560
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 104795403
2-[(3-bromo-1-methylcyclopentyl)methyl]-1,3-difluorobenzene
CID 114934515
3-[(5-chloro-2-fluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 103050496
3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 107310336
3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116538974
1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 107310679
1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol
CID 106943803

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine (CID 116539811) is 3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(C)(Cc2cccc(F)c2Br)C1.
What is the InChIKey of 3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
The InChIKey is WVUNASRFTPUGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-3-9-19-13-7-8-16(2,11-13)10-12-5-4-6-14(18)15(12)17/h4-6,13,19H,3,7-11H2,1-2H3.
What are the key properties of 3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine has a molecular weight of 328.27 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 116539811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).