2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine

C14H22BrNO — CID 62515977

IUPAC2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine
SMILESCNCC(CCCOC)Cc1ccccc1Br
InChIInChI=1S/C14H22BrNO/c1-16-11-12(6-5-9-17-2)10-13-7-3-4-8-14(13)15/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3
InChIKeyRPMHLHSDHJGCFR-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.25
Rot. Bonds8

About 2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine

2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine (PubChem CID 62515977) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine
PubChem CID62515977
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine
SMILESCNCC(CCCOC)Cc1ccccc1Br
InChIInChI=1S/C14H22BrNO/c1-16-11-12(6-5-9-17-2)10-13-7-3-4-8-14(13)15/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3
InChIKeyRPMHLHSDHJGCFR-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
2-[(2-bromophenyl)methyl]-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62514231
2-[(2-bromophenyl)methyl]-N-methyl-4-(3-methylbutoxy)butan-1-amine
CID 62516836
2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine
CID 65180423
2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine
CID 62719056
5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine
CID 62516781
1-bromo-2-[2-(bromomethyl)-3-methoxypropyl]benzene
CID 103985183
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)-N-methylpropan-1-amine
CID 65490315
2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine
CID 55221533
2-[(2-bromophenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83168303
N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 62514235
2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63521959

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine (CID 62515977) is 2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine is CNCC(CCCOC)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine?
The InChIKey is RPMHLHSDHJGCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-16-11-12(6-5-9-17-2)10-13-7-3-4-8-14(13)15/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine?
2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine is sourced from PubChem (CID 62515977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).