N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine

C15H19N3O2 — CID 19038496

IUPACN-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine
SMILESNC(c1ccc(CNO)cc1)c1ccc(CNO)cc1
InChIInChI=1S/C15H19N3O2/c16-15(13-5-1-11(2-6-13)9-17-19)14-7-3-12(4-8-14)10-18-20/h1-8,15,17-20H,9-10,16H2
InChIKeyNMWOKEGSKVVRSW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.69
Rot. Bonds6

About N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine

N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine (PubChem CID 19038496) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine
PubChem CID19038496
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine
SMILESNC(c1ccc(CNO)cc1)c1ccc(CNO)cc1
InChIInChI=1S/C15H19N3O2/c16-15(13-5-1-11(2-6-13)9-17-19)14-7-3-12(4-8-14)10-18-20/h1-8,15,17-20H,9-10,16H2
InChIKeyNMWOKEGSKVVRSW-UHFFFAOYSA-N
XLogP1.69
TPSA90.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine
CID 19038353
1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol
CID 19018202
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 82610599
N-benzylhydroxylamine;formaldehyde
CID 87671632
4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol
CID 88915543
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol
CID 66510878
N-benzylhydroxylamine;2,3-dihydroxybutanedioic acid
CID 162320499
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride
CID 86662371
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
CID 22326285
methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
CID 10635677

Frequently Asked Questions

What is the IUPAC name of N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine (CID 19038496) is N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine is NC(c1ccc(CNO)cc1)c1ccc(CNO)cc1.
What is the InChIKey of N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine?
The InChIKey is NMWOKEGSKVVRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-15(13-5-1-11(2-6-13)9-17-19)14-7-3-12(4-8-14)10-18-20/h1-8,15,17-20H,9-10,16H2.
What are the key properties of N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine?
N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine has a molecular weight of 273.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 19038496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).