1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine

C14H19BrClNO — CID 103743685

IUPAC1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCC1(CNCc2ccc(Br)cc2Cl)CCOCC1
InChIInChI=1S/C14H19BrClNO/c1-14(4-6-18-7-5-14)10-17-9-11-2-3-12(15)8-13(11)16/h2-3,8,17H,4-7,9-10H2,1H3
InChIKeyZHXIFSKIJQDKKH-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.01
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine

1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine (PubChem CID 103743685) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
PubChem CID103743685
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCC1(CNCc2ccc(Br)cc2Cl)CCOCC1
InChIInChI=1S/C14H19BrClNO/c1-14(4-6-18-7-5-14)10-17-9-11-2-3-12(15)8-13(11)16/h2-3,8,17H,4-7,9-10H2,1H3
InChIKeyZHXIFSKIJQDKKH-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103845158
2,4-dichloro-6-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
CID 103743527
5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 103580341
3-fluoro-4-[[(4-methyloxan-4-yl)methylamino]methyl]aniline
CID 114125922
1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 113253102
3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100587
2-(4-bromo-2-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765561
1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743661
2-[(4-bromo-2-chlorophenyl)methylamino]ethanol
CID 75355507
1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680463
[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine
CID 114125954
N-[(4-bromo-2-chlorophenyl)methyl]-2-methylsulfanylethanamine
CID 115651408

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine (CID 103743685) is 1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine is CC1(CNCc2ccc(Br)cc2Cl)CCOCC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The InChIKey is ZHXIFSKIJQDKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-14(4-6-18-7-5-14)10-17-9-11-2-3-12(15)8-13(11)16/h2-3,8,17H,4-7,9-10H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine has a molecular weight of 332.67 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 103743685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).