N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine

C14H23N — CID 63891299

IUPACN,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine
SMILESCNC(CC(C)(C)C)c1ccccc1C
InChIInChI=1S/C14H23N/c1-11-8-6-7-9-12(11)13(15-5)10-14(2,3)4/h6-9,13,15H,10H2,1-5H3
InChIKeyDFOQKOJPJTWFLV-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.69
Rot. Bonds3

About N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine

N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine (PubChem CID 63891299) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine
PubChem CID63891299
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine
SMILESCNC(CC(C)(C)C)c1ccccc1C
InChIInChI=1S/C14H23N/c1-11-8-6-7-9-12(11)13(15-5)10-14(2,3)4/h6-9,13,15H,10H2,1-5H3
InChIKeyDFOQKOJPJTWFLV-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 63892587
N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 63890866
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
N-methyl-1-(2-methylphenyl)pent-4-yn-1-amine
CID 63657700
1-(4-chloronaphthalen-1-yl)-N,3,3-trimethylbutan-1-amine
CID 79597722
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 63695538
1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine
CID 63940368
N-methyl-1-(2-methylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105094431
2-(2-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 55026735
4,4-dimethyl-2-(2-methylphenyl)pentanal
CID 87081066
N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63413775

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine?
The IUPAC name of N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine (CID 63891299) is N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine?
The canonical SMILES for N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine is CNC(CC(C)(C)C)c1ccccc1C.
What is the InChIKey of N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine?
The InChIKey is DFOQKOJPJTWFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11-8-6-7-9-12(11)13(15-5)10-14(2,3)4/h6-9,13,15H,10H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine?
N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine is sourced from PubChem (CID 63891299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).