3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine

C14H22BrNO — CID 103075011

IUPAC3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)COCc1ccccc1Br
InChIInChI=1S/C14H22BrNO/c1-3-8-16-9-12(2)10-17-11-13-6-4-5-7-14(13)15/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyNBBCNHXQSBTJMP-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.60
Rot. Bonds8

About 3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine

3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine (PubChem CID 103075011) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
PubChem CID103075011
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)COCc1ccccc1Br
InChIInChI=1S/C14H22BrNO/c1-3-8-16-9-12(2)10-17-11-13-6-4-5-7-14(13)15/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyNBBCNHXQSBTJMP-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
CID 103075001
2-[(2-bromophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456752
N-[2-[(2-bromophenyl)methoxy]ethyl]butan-2-amine
CID 82825030
2-N-[(2-bromophenyl)methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226067
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
2-[(2-bromophenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83168303
N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine
CID 82006882
N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine
CID 55036763
N-ethyl-2-[2-(2-methylpentoxymethyl)phenyl]ethanamine
CID 103285684
N-[(2-bromophenyl)methyl]-2-propoxyethanamine
CID 106451772
3-(2-fluorophenoxy)-2-methyl-N-propylpropan-1-amine
CID 62453534
2-[(2-bromophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
CID 115943389

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine (CID 103075011) is 3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine is CCCNCC(C)COCc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine?
The InChIKey is NBBCNHXQSBTJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-8-16-9-12(2)10-17-11-13-6-4-5-7-14(13)15/h4-7,12,16H,3,8-11H2,1-2H3.
What are the key properties of 3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine?
3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 103075011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).