(1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine

C14H22N4O — CID 86658398

IUPAC(1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1ccc([C@@H](N)CN=[N+]=[N-])cc1
InChIInChI=1S/C14H22N4O/c1-3-4-11(2)10-19-13-7-5-12(6-8-13)14(15)9-17-18-16/h5-8,11,14H,3-4,9-10,15H2,1-2H3/t11?,14-/m0/s1
InChIKeyBSTQYDBOICPWBS-IAXJKZSUSA-N
MW262.36 g/mol
LogP3.81
Rot. Bonds8

About (1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine

(1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine (PubChem CID 86658398) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine
PubChem CID86658398
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine
SMILESCCCC(C)COc1ccc([C@@H](N)CN=[N+]=[N-])cc1
InChIInChI=1S/C14H22N4O/c1-3-4-11(2)10-19-13-7-5-12(6-8-13)14(15)9-17-18-16/h5-8,11,14H,3-4,9-10,15H2,1-2H3/t11?,14-/m0/s1
InChIKeyBSTQYDBOICPWBS-IAXJKZSUSA-N
XLogP3.81
TPSA84.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine
CID 170640517
(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol
CID 55189541
(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine
CID 170640480
1-[4-(3-methylbutoxy)phenyl]butan-1-amine
CID 153373818
lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine
CID 170640479
[carboxy-[1-[4-(2-methylpentoxy)phenyl]ethyl]hydrazinylidene]-iminoazanium
CID 70937004
1-(2,4-dimethylheptoxy)-4-methylbenzene
CID 144527074
1-azido-3-(4-methoxyphenoxy)propan-2-ol
CID 71340918
2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine
CID 107886407
2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine
CID 102981242
1-[4-[(1S)-1-aminopropyl]phenoxy]propan-2-ol
CID 63367838
2-(2-methylpentoxy)-1-phenylethanamine
CID 103283488

Frequently Asked Questions

What is the IUPAC name of (1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine?
The IUPAC name of (1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine (CID 86658398) is (1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine is CCCC(C)COc1ccc([C@@H](N)CN=[N+]=[N-])cc1.
What is the InChIKey of (1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine?
The InChIKey is BSTQYDBOICPWBS-IAXJKZSUSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-4-11(2)10-19-13-7-5-12(6-8-13)14(15)9-17-18-16/h5-8,11,14H,3-4,9-10,15H2,1-2H3/t11?,14-/m0/s1.
What are the key properties of (1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine?
(1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine has a molecular weight of 262.36 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine is sourced from PubChem (CID 86658398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).