N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine

C14H23NO — CID 91804581

IUPACN-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine
SMILESCCCCN(O)C(c1ccccc1)C(C)C
InChIInChI=1S/C14H23NO/c1-4-5-11-15(16)14(12(2)3)13-9-7-6-8-10-13/h6-10,12,14,16H,4-5,11H2,1-3H3
InChIKeyQEIKDNNJBPCKCQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.88
Rot. Bonds6

About N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine

N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine (PubChem CID 91804581) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine.

Molecular Properties

Compound NameN-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine
PubChem CID91804581
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine
SMILESCCCCN(O)C(c1ccccc1)C(C)C
InChIInChI=1S/C14H23NO/c1-4-5-11-15(16)14(12(2)3)13-9-7-6-8-10-13/h6-10,12,14,16H,4-5,11H2,1-3H3
InChIKeyQEIKDNNJBPCKCQ-UHFFFAOYSA-N
XLogP3.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556
(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546
(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride
CID 169438778
N,N-dibutyl-4,4-diphenylbutan-1-amine
CID 3026479
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
N,N-dibutylbutan-1-amine;phenol
CID 172785095
N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane
CID 158212954
N,N-diethylpentan-1-amine;1-phenylethanamine
CID 175350280
2-methyl-2-[methyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 20583634
3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 14596217
N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62424987

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine?
The IUPAC name of N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine (CID 91804581) is N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine.
What is the SMILES notation for N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine?
The canonical SMILES for N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine is CCCCN(O)C(c1ccccc1)C(C)C.
What is the InChIKey of N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine?
The InChIKey is QEIKDNNJBPCKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-11-15(16)14(12(2)3)13-9-7-6-8-10-13/h6-10,12,14,16H,4-5,11H2,1-3H3.
What are the key properties of N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine?
N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine has a molecular weight of 221.34 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine is sourced from PubChem (CID 91804581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).