3,3-dimethyl-4-phenylmethoxybutan-1-amine

C13H21NO — CID 122238724

IUPAC3,3-dimethyl-4-phenylmethoxybutan-1-amine
SMILESCC(C)(CCN)COCc1ccccc1
InChIInChI=1S/C13H21NO/c1-13(2,8-9-14)11-15-10-12-6-4-3-5-7-12/h3-7H,8-11,14H2,1-2H3
InChIKeyHVTGEVGHMUMVFL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.58
Rot. Bonds6

About 3,3-dimethyl-4-phenylmethoxybutan-1-amine

3,3-dimethyl-4-phenylmethoxybutan-1-amine (PubChem CID 122238724) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3,3-dimethyl-4-phenylmethoxybutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-phenylmethoxybutan-1-amine
PubChem CID122238724
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3,3-dimethyl-4-phenylmethoxybutan-1-amine
SMILESCC(C)(CCN)COCc1ccccc1
InChIInChI=1S/C13H21NO/c1-13(2,8-9-14)11-15-10-12-6-4-3-5-7-12/h3-7H,8-11,14H2,1-2H3
InChIKeyHVTGEVGHMUMVFL-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-phenyl-1-phenylmethoxybutan-2-ol
CID 11514582
3,3-dimethyl-4-phenoxybutan-1-amine
CID 115019571
2-methyl-2-(phenylmethoxymethyl)butan-1-amine
CID 102940469
(2-methyl-1-phenylmethoxypropan-2-yl) carbonochloridate
CID 19779089
ethane;2-phenylmethoxyethanamine
CID 142016503
[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
CID 166487361
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
2-fluoro-2-methyl-3-phenylmethoxypropanal
CID 14267601
(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
CID 121267296
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-phenylmethoxybutan-1-amine?
The IUPAC name of 3,3-dimethyl-4-phenylmethoxybutan-1-amine (CID 122238724) is 3,3-dimethyl-4-phenylmethoxybutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-4-phenylmethoxybutan-1-amine?
The canonical SMILES for 3,3-dimethyl-4-phenylmethoxybutan-1-amine is CC(C)(CCN)COCc1ccccc1.
What is the InChIKey of 3,3-dimethyl-4-phenylmethoxybutan-1-amine?
The InChIKey is HVTGEVGHMUMVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,8-9-14)11-15-10-12-6-4-3-5-7-12/h3-7H,8-11,14H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-phenylmethoxybutan-1-amine?
3,3-dimethyl-4-phenylmethoxybutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-phenylmethoxybutan-1-amine is sourced from PubChem (CID 122238724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).