N-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine

C14H19BrClNO — CID 107619417

IUPACN-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine
SMILESCCCC1CC(Nc2ccc(Br)c(Cl)c2)CCO1
InChIInChI=1S/C14H19BrClNO/c1-2-3-12-8-11(6-7-18-12)17-10-4-5-13(15)14(16)9-10/h4-5,9,11-12,17H,2-3,6-8H2,1H3
InChIKeyFJZOQWXIIVPUOU-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.86
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine

N-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine (PubChem CID 107619417) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine
PubChem CID107619417
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine
SMILESCCCC1CC(Nc2ccc(Br)c(Cl)c2)CCO1
InChIInChI=1S/C14H19BrClNO/c1-2-3-12-8-11(6-7-18-12)17-10-4-5-13(15)14(16)9-10/h4-5,9,11-12,17H,2-3,6-8H2,1H3
InChIKeyFJZOQWXIIVPUOU-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-chlorophenyl)-2-ethyloxan-4-amine
CID 107619416
N-(3,5-dichloro-4-fluorophenyl)-2-propyloxan-4-amine
CID 107572986
N-(2,6-dichlorophenyl)-2-propyloxan-4-amine
CID 65468926
2-propyl-N-thiophen-3-yloxan-4-amine
CID 66352966
N-(5-chloro-2-methyl-4-nitrophenyl)-2-propyloxan-4-amine
CID 104668013
N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine
CID 107619168
N-[(1S)-1-(4-bromophenyl)ethyl]-2-propyloxan-4-amine
CID 81353815
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine
CID 81352507
N-[(1S)-1-(3-methylphenyl)ethyl]-2-propyloxan-4-amine
CID 81364604
N-(3-chloro-4-ethylphenyl)oxan-4-amine
CID 118362486
(2R,4S)-N-[4-chloro-3-[(dimethylamino)methyl]phenyl]-2-methyloxan-4-amine
CID 125141031
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine (CID 107619417) is N-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine is CCCC1CC(Nc2ccc(Br)c(Cl)c2)CCO1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine?
The InChIKey is FJZOQWXIIVPUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-2-3-12-8-11(6-7-18-12)17-10-4-5-13(15)14(16)9-10/h4-5,9,11-12,17H,2-3,6-8H2,1H3.
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine?
N-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine has a molecular weight of 332.67 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-2-propyloxan-4-amine is sourced from PubChem (CID 107619417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).