N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine

C17H30N2 — CID 61324923

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine
SMILESCCN(CC)Cc1ccccc1CNCC(C)(C)C
InChIInChI=1S/C17H30N2/c1-6-19(7-2)13-16-11-9-8-10-15(16)12-18-14-17(3,4)5/h8-11,18H,6-7,12-14H2,1-5H3
InChIKeySJQOFYUMZMMHOQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.66
Rot. Bonds7

About N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine

N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine (PubChem CID 61324923) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine
PubChem CID61324923
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine
SMILESCCN(CC)Cc1ccccc1CNCC(C)(C)C
InChIInChI=1S/C17H30N2/c1-6-19(7-2)13-16-11-9-8-10-15(16)12-18-14-17(3,4)5/h8-11,18H,6-7,12-14H2,1-5H3
InChIKeySJQOFYUMZMMHOQ-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-tert-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]ethane-1,2-diamine
CID 107444667
N-[[2-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
CID 60697087
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
CID 62422900
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119836094
N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine
CID 43768406
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-2-phenylpropanamide
CID 134022161
N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
CID 28879716
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81171767
2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
CID 134022151

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine (CID 61324923) is N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine is CCN(CC)Cc1ccccc1CNCC(C)(C)C.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is SJQOFYUMZMMHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-19(7-2)13-16-11-9-8-10-15(16)12-18-14-17(3,4)5/h8-11,18H,6-7,12-14H2,1-5H3.
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine?
N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61324923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).