N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine

C14H18BrFN2 — CID 79710549

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
SMILESFc1cc(Br)cc(CNC2CCN(C3CC3)C2)c1
InChIInChI=1S/C14H18BrFN2/c15-11-5-10(6-12(16)7-11)8-17-13-3-4-18(9-13)14-1-2-14/h5-7,13-14,17H,1-4,8-9H2
InChIKeyUEASSKNIRZTCHZ-UHFFFAOYSA-N
MW313.21 g/mol
LogP2.91
Rot. Bonds4

About N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine

N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine (PubChem CID 79710549) has the molecular formula C14H18BrFN2 and a molecular weight of 313.21 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
PubChem CID79710549
Molecular FormulaC14H18BrFN2
Molecular Weight313.21 g/mol
Exact Mass312.06
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
SMILESFc1cc(Br)cc(CNC2CCN(C3CC3)C2)c1
InChIInChI=1S/C14H18BrFN2/c15-11-5-10(6-12(16)7-11)8-17-13-3-4-18(9-13)14-1-2-14/h5-7,13-14,17H,1-4,8-9H2
InChIKeyUEASSKNIRZTCHZ-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(3-fluoro-5-nitrophenyl)methyl]pyrrolidin-3-amine
CID 115980416
1-[(3-bromo-5-fluorophenyl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918819
N-[(3-bromo-5-fluorophenyl)methyl]-4-chlorocyclohexan-1-amine
CID 79708463
1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine
CID 65477786
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine
CID 62982821
1-cyclopropyl-N-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-amine
CID 103437727
(3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 129366905
1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine
CID 79055593
1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine
CID 43612748
1-[(3-bromo-5-fluorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926791
N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 106862537

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine (CID 79710549) is N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine is Fc1cc(Br)cc(CNC2CCN(C3CC3)C2)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine?
The InChIKey is UEASSKNIRZTCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2/c15-11-5-10(6-12(16)7-11)8-17-13-3-4-18(9-13)14-1-2-14/h5-7,13-14,17H,1-4,8-9H2.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine?
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine has a molecular weight of 313.21 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 79710549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).