1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine

C19H33N3O — CID 66769299

IUPAC1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCOc1c(N)cc(C(C)(C)C)cc1CN1CCCC(N(C)C)C1
InChIInChI=1S/C19H33N3O/c1-19(2,3)15-10-14(18(23-6)17(20)11-15)12-22-9-7-8-16(13-22)21(4)5/h10-11,16H,7-9,12-13,20H2,1-6H3
InChIKeyFOYHSWLVBGRMPZ-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.10
Rot. Bonds4

About 1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine

1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 66769299) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
PubChem CID66769299
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCOc1c(N)cc(C(C)(C)C)cc1CN1CCCC(N(C)C)C1
InChIInChI=1S/C19H33N3O/c1-19(2,3)15-10-14(18(23-6)17(20)11-15)12-22-9-7-8-16(13-22)21(4)5/h10-11,16H,7-9,12-13,20H2,1-6H3
InChIKeyFOYHSWLVBGRMPZ-UHFFFAOYSA-N
XLogP3.10
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 107208478
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 82983035
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581
1-[3-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 63899709
(3S)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethylazepan-3-amine
CID 70779156
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77453260
2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983112
(4S)-1-[(3,5-difluoro-4-methoxyphenyl)methyl]-N,N-dimethylazepan-4-amine
CID 99946945
5-tert-butyl-2-methoxy-3-methylaniline
CID 21353746
6-[[3-(dimethylamino)piperidin-1-yl]methyl]pyridin-2-amine
CID 79230714
3-[[4-(dimethylamino)azepan-1-yl]methyl]-5,6,7-trimethoxy-1H-quinolin-2-one
CID 56908742

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine (CID 66769299) is 1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine is COc1c(N)cc(C(C)(C)C)cc1CN1CCCC(N(C)C)C1.
What is the InChIKey of 1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is FOYHSWLVBGRMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-19(2,3)15-10-14(18(23-6)17(20)11-15)12-22-9-7-8-16(13-22)21(4)5/h10-11,16H,7-9,12-13,20H2,1-6H3.
What are the key properties of 1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine?
1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 319.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-tert-butyl-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 66769299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).