1-azido-3-(4-methoxyphenyl)propan-2-amine

C10H14N4O — CID 22054877

IUPAC1-azido-3-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(N)CN=[N+]=[N-])cc1
InChIInChI=1S/C10H14N4O/c1-15-10-4-2-8(3-5-10)6-9(11)7-13-14-12/h2-5,9H,6-7,11H2,1H3
InChIKeyPSCHSYVUSIWDAZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.88
Rot. Bonds5

About 1-azido-3-(4-methoxyphenyl)propan-2-amine

1-azido-3-(4-methoxyphenyl)propan-2-amine (PubChem CID 22054877) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-azido-3-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-azido-3-(4-methoxyphenyl)propan-2-amine
PubChem CID22054877
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-azido-3-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(N)CN=[N+]=[N-])cc1
InChIInChI=1S/C10H14N4O/c1-15-10-4-2-8(3-5-10)6-9(11)7-13-14-12/h2-5,9H,6-7,11H2,1H3
InChIKeyPSCHSYVUSIWDAZ-UHFFFAOYSA-N
XLogP1.88
TPSA84.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.88
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

1-azido-3-(4-chlorophenyl)propan-2-amine
CID 141240691
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
CID 89360253
methyl 2-azido-3-(4-methoxyphenyl)propanoate
CID 10444067
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
CID 24815980
1-azido-3-(4-methoxyphenoxy)propan-2-ol
CID 71340918
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 18711783

Frequently Asked Questions

What is the IUPAC name of 1-azido-3-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-azido-3-(4-methoxyphenyl)propan-2-amine (CID 22054877) is 1-azido-3-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-azido-3-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-azido-3-(4-methoxyphenyl)propan-2-amine is COc1ccc(CC(N)CN=[N+]=[N-])cc1.
What is the InChIKey of 1-azido-3-(4-methoxyphenyl)propan-2-amine?
The InChIKey is PSCHSYVUSIWDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-15-10-4-2-8(3-5-10)6-9(11)7-13-14-12/h2-5,9H,6-7,11H2,1H3.
What are the key properties of 1-azido-3-(4-methoxyphenyl)propan-2-amine?
1-azido-3-(4-methoxyphenyl)propan-2-amine has a molecular weight of 206.25 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 22054877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).