N,N-dimethyl-4-phenylmethoxybutan-2-amine

C13H21NO — CID 142063705

IUPACN,N-dimethyl-4-phenylmethoxybutan-2-amine
SMILESCC(CCOCc1ccccc1)N(C)C
InChIInChI=1S/C13H21NO/c1-12(14(2)3)9-10-15-11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyPJNJJXZPLHTHGA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.54
Rot. Bonds6

About N,N-dimethyl-4-phenylmethoxybutan-2-amine

N,N-dimethyl-4-phenylmethoxybutan-2-amine (PubChem CID 142063705) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-dimethyl-4-phenylmethoxybutan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-phenylmethoxybutan-2-amine
PubChem CID142063705
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,N-dimethyl-4-phenylmethoxybutan-2-amine
SMILESCC(CCOCc1ccccc1)N(C)C
InChIInChI=1S/C13H21NO/c1-12(14(2)3)9-10-15-11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyPJNJJXZPLHTHGA-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N,N-dimethyl-1-phenylmethoxypropan-2-amine
CID 165125005
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
3-N-methyl-3-N-(2-phenylmethoxyethyl)butane-1,3-diamine
CID 130536772
(4R)-1-phenylmethoxyhexane-3,4-diol
CID 165032455
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
N,N-dimethyl-5-phenylpentan-2-amine
CID 12951765
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
(2S,3R)-3-methyl-2,5-bis(phenylmethoxy)pentanenitrile
CID 15739741
3-(bromomethyl)hexoxymethylbenzene
CID 130537467
(2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane
CID 175085284
(2S,3R)-2-methyl-5-phenylmethoxypentane-1,3-diol
CID 13113147

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-phenylmethoxybutan-2-amine?
The IUPAC name of N,N-dimethyl-4-phenylmethoxybutan-2-amine (CID 142063705) is N,N-dimethyl-4-phenylmethoxybutan-2-amine.
What is the SMILES notation for N,N-dimethyl-4-phenylmethoxybutan-2-amine?
The canonical SMILES for N,N-dimethyl-4-phenylmethoxybutan-2-amine is CC(CCOCc1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-4-phenylmethoxybutan-2-amine?
The InChIKey is PJNJJXZPLHTHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-12(14(2)3)9-10-15-11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-phenylmethoxybutan-2-amine?
N,N-dimethyl-4-phenylmethoxybutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-phenylmethoxybutan-2-amine is sourced from PubChem (CID 142063705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).