N-[(3-methylphenyl)-phenylmethyl]hydroxylamine

C14H15NO — CID 142769620

IUPACN-[(3-methylphenyl)-phenylmethyl]hydroxylamine
SMILESCc1cccc(C(NO)c2ccccc2)c1
InChIInChI=1S/C14H15NO/c1-11-6-5-9-13(10-11)14(15-16)12-7-3-2-4-8-12/h2-10,14-16H,1H3
InChIKeyBTXCBVFWQINVMU-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.06
Rot. Bonds3

About N-[(3-methylphenyl)-phenylmethyl]hydroxylamine

N-[(3-methylphenyl)-phenylmethyl]hydroxylamine (PubChem CID 142769620) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(3-methylphenyl)-phenylmethyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)-phenylmethyl]hydroxylamine
PubChem CID142769620
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-[(3-methylphenyl)-phenylmethyl]hydroxylamine
SMILESCc1cccc(C(NO)c2ccccc2)c1
InChIInChI=1S/C14H15NO/c1-11-6-5-9-13(10-11)14(15-16)12-7-3-2-4-8-12/h2-10,14-16H,1H3
InChIKeyBTXCBVFWQINVMU-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3-methylphenyl)-phenylmethyl]amino]ethanol
CID 144916597
N-[(R)-(3-methylphenyl)-phenylmethyl]formamide
CID 12969500
2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol
CID 144917101
1-[(S)-(3-methylphenyl)-phenylmethyl]-3-phenylthiourea
CID 100726368
1-(3-methylphenyl)-3-[(3-methylphenyl)-phenylmethyl]thiourea
CID 133216260
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine
CID 146752027
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine
CID 144917221
1-[fluoro(phenyl)methyl]-3-methylbenzene
CID 54364294
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790034

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)-phenylmethyl]hydroxylamine?
The IUPAC name of N-[(3-methylphenyl)-phenylmethyl]hydroxylamine (CID 142769620) is N-[(3-methylphenyl)-phenylmethyl]hydroxylamine.
What is the SMILES notation for N-[(3-methylphenyl)-phenylmethyl]hydroxylamine?
The canonical SMILES for N-[(3-methylphenyl)-phenylmethyl]hydroxylamine is Cc1cccc(C(NO)c2ccccc2)c1.
What is the InChIKey of N-[(3-methylphenyl)-phenylmethyl]hydroxylamine?
The InChIKey is BTXCBVFWQINVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-11-6-5-9-13(10-11)14(15-16)12-7-3-2-4-8-12/h2-10,14-16H,1H3.
What are the key properties of N-[(3-methylphenyl)-phenylmethyl]hydroxylamine?
N-[(3-methylphenyl)-phenylmethyl]hydroxylamine has a molecular weight of 213.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)-phenylmethyl]hydroxylamine is sourced from PubChem (CID 142769620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).