N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine

C14H23N — CID 62723481

IUPACN,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine
SMILESCCC(C)(CNC)Cc1ccc(C)cc1
InChIInChI=1S/C14H23N/c1-5-14(3,11-15-4)10-13-8-6-12(2)7-9-13/h6-9,15H,5,10-11H2,1-4H3
InChIKeyBIKUDJQZXYPGQV-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.17
Rot. Bonds5

About N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine

N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine (PubChem CID 62723481) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine
PubChem CID62723481
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine
SMILESCCC(C)(CNC)Cc1ccc(C)cc1
InChIInChI=1S/C14H23N/c1-5-14(3,11-15-4)10-13-8-6-12(2)7-9-13/h6-9,15H,5,10-11H2,1-4H3
InChIKeyBIKUDJQZXYPGQV-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105452062
2-[(3-bromo-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62723478
2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 65491899
2-methyl-2-[(4-methylphenyl)methyl]propane-1,3-diol
CID 54018916
ethane;3-ethyl-3-methylpentane;methane;1,4-xylene
CID 158034603
N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63509418
N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine
CID 62726135
2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509171
N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 63509011
3-[(4-methylphenyl)methyl]pentan-3-ol
CID 60799364
1-N,2-N,2-trimethyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 115132783
2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine
CID 83182602

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine?
The IUPAC name of N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine (CID 62723481) is N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine is CCC(C)(CNC)Cc1ccc(C)cc1.
What is the InChIKey of N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine?
The InChIKey is BIKUDJQZXYPGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-14(3,11-15-4)10-13-8-6-12(2)7-9-13/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine?
N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 62723481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).