N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine

C18H22BrNO — CID 115792512

IUPACN-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)ccc1C)c1ccccc1OC
InChIInChI=1S/C18H22BrNO/c1-4-11-20-18(15-7-5-6-8-17(15)21-3)16-12-14(19)10-9-13(16)2/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyHODUTIXJVPRGKE-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.86
Rot. Bonds6

About N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine

N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine (PubChem CID 115792512) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
PubChem CID115792512
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)ccc1C)c1ccccc1OC
InChIInChI=1S/C18H22BrNO/c1-4-11-20-18(15-7-5-6-8-17(15)21-3)16-12-14(19)10-9-13(16)2/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyHODUTIXJVPRGKE-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792566
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115793334
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 106645250
N-[(5-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 79723126
N-[(5-bromo-2-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43493888
N-[(5-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 65307696
N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 62790493
N-[(5-bromo-2-methylphenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397007
N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820042
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
N-[(3-methoxy-4-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794735
N-[(4-bromo-2-methoxyphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 115368935

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine (CID 115792512) is N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1cc(Br)ccc1C)c1ccccc1OC.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is HODUTIXJVPRGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-11-20-18(15-7-5-6-8-17(15)21-3)16-12-14(19)10-9-13(16)2/h5-10,12,18,20H,4,11H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115792512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).