N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine

C11H13BrClNO — CID 115688940

IUPACN-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine
SMILESClc1cc(Br)ccc1CNC1CCOC1
InChIInChI=1S/C11H13BrClNO/c12-9-2-1-8(11(13)5-9)6-14-10-3-4-15-7-10/h1-2,5,10,14H,3-4,6-7H2
InChIKeyAOHCWEXTJMCLNN-UHFFFAOYSA-N
MW290.59 g/mol
LogP2.98
Rot. Bonds3

About N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine

N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine (PubChem CID 115688940) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine
PubChem CID115688940
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine
SMILESClc1cc(Br)ccc1CNC1CCOC1
InChIInChI=1S/C11H13BrClNO/c12-9-2-1-8(11(13)5-9)6-14-10-3-4-15-7-10/h1-2,5,10,14H,3-4,6-7H2
InChIKeyAOHCWEXTJMCLNN-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
N-[(5-bromo-2-chlorophenyl)methyl]oxan-4-amine
CID 115732123
N-[(2-chloro-4-nitrophenyl)methyl]oxolan-3-amine
CID 80713830
3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide
CID 172652075
3-[(4-bromo-2-chlorophenyl)methyl]oxan-4-ol
CID 106471285
N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine
CID 176514402
4-bromo-2-[(oxan-3-ylamino)methyl]phenol;hydrochloride
CID 115616396
N-[(4-chlorothiophen-3-yl)methyl]oxolan-3-amine
CID 126997872
N-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104588029
2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
CID 112554992
N-[(4-bromo-2-chlorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701411
N-[(4-bromo-2-nitrophenyl)methyl]oxan-4-amine
CID 114381098

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine (CID 115688940) is N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine is Clc1cc(Br)ccc1CNC1CCOC1.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine?
The InChIKey is AOHCWEXTJMCLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c12-9-2-1-8(11(13)5-9)6-14-10-3-4-15-7-10/h1-2,5,10,14H,3-4,6-7H2.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine?
N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine has a molecular weight of 290.59 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 115688940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).