(2-bromo-3-propoxyphenyl)methanamine

C10H14BrNO — CID 151857496

IUPAC(2-bromo-3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(CN)c1Br
InChIInChI=1S/C10H14BrNO/c1-2-6-13-9-5-3-4-8(7-12)10(9)11/h3-5H,2,6-7,12H2,1H3
InChIKeySJZNUXPKZIWBAP-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.70
Rot. Bonds4

About (2-bromo-3-propoxyphenyl)methanamine

(2-bromo-3-propoxyphenyl)methanamine (PubChem CID 151857496) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is (2-bromo-3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-propoxyphenyl)methanamine
PubChem CID151857496
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name(2-bromo-3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(CN)c1Br
InChIInChI=1S/C10H14BrNO/c1-2-6-13-9-5-3-4-8(7-12)10(9)11/h3-5H,2,6-7,12H2,1H3
InChIKeySJZNUXPKZIWBAP-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromo-3-propoxyphenyl)methanamine 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

(2-bromo-3-propoxyphenyl)methanol
CID 118270127
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470
2-bromo-3-propoxybenzonitrile
CID 172915392
1-(bromomethyl)-2-propoxybenzene
CID 43141572
(2-methoxy-6-propoxyphenyl)methanamine
CID 118156685
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanamine
CID 167725875
1-bromo-2,3-dipropoxybenzene
CID 91157628
1,2,3-tribromo-4-propoxybenzene
CID 70578874
1-bromo-2-chloro-3-propoxybenzene
CID 126752460
2-methyl-3-propoxyaniline
CID 23134606
(3-bromo-2-decoxyphenyl)methanamine
CID 63500475
ethane;1-ethyl-2-methoxy-3-propoxybenzene
CID 143988437

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-propoxyphenyl)methanamine?
The IUPAC name of (2-bromo-3-propoxyphenyl)methanamine (CID 151857496) is (2-bromo-3-propoxyphenyl)methanamine.
What is the SMILES notation for (2-bromo-3-propoxyphenyl)methanamine?
The canonical SMILES for (2-bromo-3-propoxyphenyl)methanamine is CCCOc1cccc(CN)c1Br.
What is the InChIKey of (2-bromo-3-propoxyphenyl)methanamine?
The InChIKey is SJZNUXPKZIWBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-2-6-13-9-5-3-4-8(7-12)10(9)11/h3-5H,2,6-7,12H2,1H3.
What are the key properties of (2-bromo-3-propoxyphenyl)methanamine?
(2-bromo-3-propoxyphenyl)methanamine has a molecular weight of 244.13 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-propoxyphenyl)methanamine is sourced from PubChem (CID 151857496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).