N,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine

C17H30N2 — CID 105347221

IUPACN,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine
SMILESCNCCc1ccc(CN(C)C(C)C(C)(C)C)cc1
InChIInChI=1S/C17H30N2/c1-14(17(2,3)4)19(6)13-16-9-7-15(8-10-16)11-12-18-5/h7-10,14,18H,11-13H2,1-6H3
InChIKeyIXWQIVAZBSKHBC-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.31
Rot. Bonds6

About N,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine

N,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine (PubChem CID 105347221) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine
PubChem CID105347221
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine
SMILESCNCCc1ccc(CN(C)C(C)C(C)(C)C)cc1
InChIInChI=1S/C17H30N2/c1-14(17(2,3)4)19(6)13-16-9-7-15(8-10-16)11-12-18-5/h7-10,14,18H,11-13H2,1-6H3
InChIKeyIXWQIVAZBSKHBC-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 105347507
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide
CID 55010658
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 63469443
2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine
CID 84666441
N-ethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346888
N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine
CID 105351152
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 63886160
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
1-methoxy-N-methyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-2-amine
CID 105347285

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine?
The IUPAC name of N,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine (CID 105347221) is N,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine is CNCCc1ccc(CN(C)C(C)C(C)(C)C)cc1.
What is the InChIKey of N,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine?
The InChIKey is IXWQIVAZBSKHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14(17(2,3)4)19(6)13-16-9-7-15(8-10-16)11-12-18-5/h7-10,14,18H,11-13H2,1-6H3.
What are the key properties of N,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine?
N,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]butan-2-amine is sourced from PubChem (CID 105347221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).