N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

C14H20BrN5 — CID 103085946

IUPACN-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(C)c1nnnn1Cc1cccc(Br)c1
InChIInChI=1S/C14H20BrN5/c1-10(2)8-16-11(3)14-17-18-19-20(14)9-12-5-4-6-13(15)7-12/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyHNAQULUDPCPNBE-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.79
Rot. Bonds6

About N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 103085946) has the molecular formula C14H20BrN5 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
PubChem CID103085946
Molecular FormulaC14H20BrN5
Molecular Weight338.25 g/mol
Exact Mass337.09
IUPAC NameN-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(C)c1nnnn1Cc1cccc(Br)c1
InChIInChI=1S/C14H20BrN5/c1-10(2)8-16-11(3)14-17-18-19-20(14)9-12-5-4-6-13(15)7-12/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyHNAQULUDPCPNBE-UHFFFAOYSA-N
XLogP2.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-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

N-[1-[1-[(3-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085661
N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085288
2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103085581
N-ethyl-1-[1-(thiophen-3-ylmethyl)tetrazol-5-yl]ethanamine
CID 103086139
N-[1-[1-(2-bromophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084884
1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085480
N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085187
N-[[1-[(3-bromophenyl)methyl]tetrazol-5-yl]methyl]propan-1-amine
CID 62762781
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine
CID 103085277
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085674
N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103086259

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine (CID 103085946) is N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine is CC(C)CNC(C)c1nnnn1Cc1cccc(Br)c1.
What is the InChIKey of N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is HNAQULUDPCPNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5/c1-10(2)8-16-11(3)14-17-18-19-20(14)9-12-5-4-6-13(15)7-12/h4-7,10-11,16H,8-9H2,1-3H3.
What are the key properties of N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 338.25 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103085946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).