1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine

C18H32N2O — CID 79670044

IUPAC1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COCc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-17(2,3)19-12-15-8-10-16(11-9-15)13-21-14-18(4,5)20(6)7/h8-11,19H,12-14H2,1-7H3
InChIKeyVWNQNYWRXSAZFT-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.43
Rot. Bonds7

About 1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine

1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine (PubChem CID 79670044) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine
PubChem CID79670044
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COCc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-17(2,3)19-12-15-8-10-16(11-9-15)13-21-14-18(4,5)20(6)7/h8-11,19H,12-14H2,1-7H3
InChIKeyVWNQNYWRXSAZFT-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propan-2-amine
CID 62446348
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62458634
N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62457543
N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine
CID 105351121
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]thiohydroxylamine
CID 155479405
2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 59597807
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine
CID 62421672
N,N,2-trimethyl-1-[[5-(methylaminomethyl)thiophen-2-yl]methoxy]propan-2-amine
CID 107559092
N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 79628757
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63062524

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine (CID 79670044) is 1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)COCc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine?
The InChIKey is VWNQNYWRXSAZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-17(2,3)19-12-15-8-10-16(11-9-15)13-21-14-18(4,5)20(6)7/h8-11,19H,12-14H2,1-7H3.
What are the key properties of 1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine?
1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 79670044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).