N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine

C16H28N2 — CID 105347507

IUPACN,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
SMILESCNCCc1ccc(CN(C)CC(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-16(2,3)13-18(5)12-15-8-6-14(7-9-15)10-11-17-4/h6-9,17H,10-13H2,1-5H3
InChIKeySDRYARNQFMBBDM-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.93
Rot. Bonds6

About N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine

N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine (PubChem CID 105347507) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
PubChem CID105347507
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
SMILESCNCCc1ccc(CN(C)CC(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-16(2,3)13-18(5)12-15-8-6-14(7-9-15)10-11-17-4/h6-9,17H,10-13H2,1-5H3
InChIKeySDRYARNQFMBBDM-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine
CID 105347221
N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
CID 115197894
N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine
CID 105348315
N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]ethanamine
CID 105347516
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815
N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347759
N-methyl-2-[4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]ethanamine
CID 105348013
2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine
CID 84666441
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346572
1-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62836356

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine (CID 105347507) is N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine is CNCCc1ccc(CN(C)CC(C)(C)C)cc1.
What is the InChIKey of N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine?
The InChIKey is SDRYARNQFMBBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-16(2,3)13-18(5)12-15-8-6-14(7-9-15)10-11-17-4/h6-9,17H,10-13H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine?
N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 105347507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).