N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline

C12H20N2 — CID 2774184

IUPACN,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3
InChIKeyNZXPKDJRJFKEIC-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.25
Rot. Bonds4

About N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline

N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline (PubChem CID 2774184) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline
PubChem CID2774184
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3
InChIKeyNZXPKDJRJFKEIC-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline (CID 2774184) is N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline is CC(C)NCc1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline?
The InChIKey is NZXPKDJRJFKEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline?
N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline has a molecular weight of 192.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 2774184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).