N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine

C14H23N — CID 63561742

IUPACN,2-dimethyl-1-(4-methylphenyl)pentan-3-amine
SMILESCCC(NC)C(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H23N/c1-5-14(15-4)12(3)10-13-8-6-11(2)7-9-13/h6-9,12,14-15H,5,10H2,1-4H3
InChIKeyBAAPAONAKWTZFF-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.17
Rot. Bonds5

About N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine

N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine (PubChem CID 63561742) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(4-methylphenyl)pentan-3-amine
PubChem CID63561742
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC NameN,2-dimethyl-1-(4-methylphenyl)pentan-3-amine
SMILESCCC(NC)C(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H23N/c1-5-14(15-4)12(3)10-13-8-6-11(2)7-9-13/h6-9,12,14-15H,5,10H2,1-4H3
InChIKeyBAAPAONAKWTZFF-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 ≤ 500205.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N,2-dimethylpentan-3-amine
CID 63560195
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
3-methyl-4-(4-methylphenyl)butan-2-amine
CID 60996372
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
N,4-dimethylhexan-3-amine
CID 63559808
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine
CID 64638612
3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine
CID 61065370
N-ethyl-1-(4-methoxyphenyl)-2-methylpentan-3-amine
CID 79307375
1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine
CID 65476823
[4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol
CID 157214226

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine?
The IUPAC name of N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine (CID 63561742) is N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine.
What is the SMILES notation for N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine?
The canonical SMILES for N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine is CCC(NC)C(C)Cc1ccc(C)cc1.
What is the InChIKey of N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine?
The InChIKey is BAAPAONAKWTZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-14(15-4)12(3)10-13-8-6-11(2)7-9-13/h6-9,12,14-15H,5,10H2,1-4H3.
What are the key properties of N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine?
N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine has a molecular weight of 205.35 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-1-(4-methylphenyl)pentan-3-amine is sourced from PubChem (CID 63561742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).