N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine

C9H15N3O — CID 115260862

IUPACN-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCNN)c1
InChIInChI=1S/C9H15N3O/c1-13-9-4-2-3-8(5-9)6-11-7-12-10/h2-5,11-12H,6-7,10H2,1H3
InChIKeySBSGOKFQXPCULJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.21
Rot. Bonds5

About N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine

N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine (PubChem CID 115260862) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
PubChem CID115260862
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCNN)c1
InChIInChI=1S/C9H15N3O/c1-13-9-4-2-3-8(5-9)6-11-7-12-10/h2-5,11-12H,6-7,10H2,1H3
InChIKeySBSGOKFQXPCULJ-UHFFFAOYSA-N
XLogP0.21
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(hydrazinylmethyl)-1-(4-methoxyphenyl)methanamine
CID 115260736
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine
CID 165111805
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
1-amino-3-[(3-methoxyphenyl)methyl]thiourea
CID 58338480
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
[3-(4-methoxyphenoxy)phenyl]methylhydrazine
CID 53425280
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine?
The IUPAC name of N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine (CID 115260862) is N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine.
What is the SMILES notation for N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine?
The canonical SMILES for N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine is COc1cccc(CNCNN)c1.
What is the InChIKey of N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine?
The InChIKey is SBSGOKFQXPCULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-13-9-4-2-3-8(5-9)6-11-7-12-10/h2-5,11-12H,6-7,10H2,1H3.
What are the key properties of N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine?
N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 115260862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).