N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine

C16H26BrNO — CID 63453722

IUPACN-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine
SMILESCCCOc1ccc(Br)cc1CNC(CC)C(C)C
InChIInChI=1S/C16H26BrNO/c1-5-9-19-16-8-7-14(17)10-13(16)11-18-15(6-2)12(3)4/h7-8,10,12,15,18H,5-6,9,11H2,1-4H3
InChIKeyNEPRWCORNMDILH-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.76
Rot. Bonds8

About N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine

N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine (PubChem CID 63453722) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine
PubChem CID63453722
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC NameN-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine
SMILESCCCOc1ccc(Br)cc1CNC(CC)C(C)C
InChIInChI=1S/C16H26BrNO/c1-5-9-19-16-8-7-14(17)10-13(16)11-18-15(6-2)12(3)4/h7-8,10,12,15,18H,5-6,9,11H2,1-4H3
InChIKeyNEPRWCORNMDILH-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-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

N-[(5-bromo-2-propoxyphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047756
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine
CID 63479004
2-[(5-bromo-2-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312603
1-(5-bromo-2-propoxyphenyl)-N-(2-methylpropoxy)methanamine
CID 82712779
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
(2R)-N-[(5-bromo-2-propoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 29224851
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 104953291
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 113466393
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935872
N-[(5-bromo-2-propoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 78910425
2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol
CID 62518917

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine?
The IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine (CID 63453722) is N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine is CCCOc1ccc(Br)cc1CNC(CC)C(C)C.
What is the InChIKey of N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine?
The InChIKey is NEPRWCORNMDILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-5-9-19-16-8-7-14(17)10-13(16)11-18-15(6-2)12(3)4/h7-8,10,12,15,18H,5-6,9,11H2,1-4H3.
What are the key properties of N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine?
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine has a molecular weight of 328.29 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine is sourced from PubChem (CID 63453722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).