N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine

C15H25N — CID 61065068

IUPACN,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine
SMILESCNC(Cc1ccccc1C)CC(C)(C)C
InChIInChI=1S/C15H25N/c1-12-8-6-7-9-13(12)10-14(16-5)11-15(2,3)4/h6-9,14,16H,10-11H2,1-5H3
InChIKeyWCBDWWQDSWICMG-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.56
Rot. Bonds4

About N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine

N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine (PubChem CID 61065068) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine
PubChem CID61065068
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine
SMILESCNC(Cc1ccccc1C)CC(C)(C)C
InChIInChI=1S/C15H25N/c1-12-8-6-7-9-13(12)10-14(16-5)11-15(2,3)4/h6-9,14,16H,10-11H2,1-5H3
InChIKeyWCBDWWQDSWICMG-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(2-methylphenyl)butan-2-amine
CID 60820425
1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 65132723
N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine
CID 83161242
1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine
CID 63891511
N-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine
CID 105140044
1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine
CID 63889811
N,5,5-trimethyl-1-phenylhexan-3-amine
CID 63889810
N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine
CID 63084673
1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 60819427
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 66051734
5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
CID 65095703

Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine?
The IUPAC name of N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine (CID 61065068) is N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine.
What is the SMILES notation for N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine?
The canonical SMILES for N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine is CNC(Cc1ccccc1C)CC(C)(C)C.
What is the InChIKey of N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine?
The InChIKey is WCBDWWQDSWICMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12-8-6-7-9-13(12)10-14(16-5)11-15(2,3)4/h6-9,14,16H,10-11H2,1-5H3.
What are the key properties of N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine?
N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine is sourced from PubChem (CID 61065068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).