N,N-dimethyl-2-(4-methylphenyl)propan-1-amine

C12H19N — CID 143373779

IUPACN,N-dimethyl-2-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(C)CN(C)C)cc1
InChIInChI=1S/C12H19N/c1-10-5-7-12(8-6-10)11(2)9-13(3)4/h5-8,11H,9H2,1-4H3
InChIKeyYIRXIQHWDTVQMT-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.66
Rot. Bonds3

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

N,N-dimethyl-2-(4-methylphenyl)propan-1-amine (PubChem CID 143373779) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylphenyl)propan-1-amine
PubChem CID143373779
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN,N-dimethyl-2-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(C)CN(C)C)cc1
InChIInChI=1S/C12H19N/c1-10-5-7-12(8-6-10)11(2)9-13(3)4/h5-8,11H,9H2,1-4H3
InChIKeyYIRXIQHWDTVQMT-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N,N-dimethyl-2-(4-phenylphenyl)propan-1-amine
CID 97356699
4-[1-(dimethylamino)propan-2-yl]aniline
CID 115015271
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170020811
2-(4-chlorophenyl)-N,N-dimethyl-2-(4-methylphenyl)ethanamine
CID 143374115
1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
CID 164713773
N,N-dimethyl-2-(4-methylphenoxy)propan-1-amine
CID 89477371
(2S,4R)-4-(4-methylphenyl)pentan-2-amine
CID 11789769
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
1-(4-bromopentan-2-yl)-4-methylbenzene
CID 64718589
(1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 118026515
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of N,N-dimethyl-2-(4-methylphenyl)propan-1-amine (CID 143373779) is N,N-dimethyl-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-2-(4-methylphenyl)propan-1-amine is Cc1ccc(C(C)CN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-(4-methylphenyl)propan-1-amine?
The InChIKey is YIRXIQHWDTVQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10-5-7-12(8-6-10)11(2)9-13(3)4/h5-8,11H,9H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(4-methylphenyl)propan-1-amine?
N,N-dimethyl-2-(4-methylphenyl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 143373779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).