N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline

C19H26N2 — CID 63552513

IUPACN,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline
SMILESCc1cc(N(C)c2ccccc2C)ccc1CNC(C)C
InChIInChI=1S/C19H26N2/c1-14(2)20-13-17-10-11-18(12-16(17)4)21(5)19-9-7-6-8-15(19)3/h6-12,14,20H,13H2,1-5H3
InChIKeyBUDLILGPQDPQLI-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.57
Rot. Bonds5

About N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline

N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline (PubChem CID 63552513) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline
PubChem CID63552513
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline
SMILESCc1cc(N(C)c2ccccc2C)ccc1CNC(C)C
InChIInChI=1S/C19H26N2/c1-14(2)20-13-17-10-11-18(12-16(17)4)21(5)19-9-7-6-8-15(19)3/h6-12,14,20H,13H2,1-5H3
InChIKeyBUDLILGPQDPQLI-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)aniline
CID 81057034
N-butyl-N,3-dimethyl-4-[(propan-2-ylamino)methyl]aniline
CID 62135683
N,3-dimethyl-N-(2-methylsulfanylethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 112662242
N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline
CID 62134843
3-chloro-N-methyl-N-(2-methylphenyl)-2-[(propan-2-ylamino)methyl]aniline
CID 63553262
2-[N,3-dimethyl-4-[(propan-2-ylamino)methyl]anilino]-N-propan-2-ylacetamide
CID 62130131
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 113295432
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
N,3-dimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63713320
2-[3-methyl-N-pentan-3-yl-4-[(propan-2-ylamino)methyl]anilino]ethanol
CID 62130474
N-[[2-methyl-4-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 63809195
4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 43313686

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline (CID 63552513) is N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline is Cc1cc(N(C)c2ccccc2C)ccc1CNC(C)C.
What is the InChIKey of N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline?
The InChIKey is BUDLILGPQDPQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14(2)20-13-17-10-11-18(12-16(17)4)21(5)19-9-7-6-8-15(19)3/h6-12,14,20H,13H2,1-5H3.
What are the key properties of N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline?
N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline has a molecular weight of 282.43 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 63552513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).