3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline

C18H24N2 — CID 116951893

IUPAC3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline
SMILESCNC(c1cccc(N)c1)c1cc(C(C)C)ccc1C
InChIInChI=1S/C18H24N2/c1-12(2)14-9-8-13(3)17(11-14)18(20-4)15-6-5-7-16(19)10-15/h5-12,18,20H,19H2,1-4H3
InChIKeyQEPQRMIZBWDRBG-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.01
Rot. Bonds4

About 3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline

3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline (PubChem CID 116951893) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline
PubChem CID116951893
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline
SMILESCNC(c1cccc(N)c1)c1cc(C(C)C)ccc1C
InChIInChI=1S/C18H24N2/c1-12(2)14-9-8-13(3)17(11-14)18(20-4)15-6-5-7-16(19)10-15/h5-12,18,20H,19H2,1-4H3
InChIKeyQEPQRMIZBWDRBG-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[methylamino-(2,3,4-trimethylphenyl)methyl]aniline
CID 116951923
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 82491046
3-[methylamino-(3-methylthiophen-2-yl)methyl]aniline
CID 116951934
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 116855714
1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483766
3-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 118363165
3-[1-benzothiophen-3-yl(methylamino)methyl]aniline
CID 116951922
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
(3-aminophenyl)-(4-propan-2-ylphenyl)methanol
CID 91678371
1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43483809
4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline
CID 116952017
1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 82883588

Frequently Asked Questions

What is the IUPAC name of 3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline?
The IUPAC name of 3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline (CID 116951893) is 3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline.
What is the SMILES notation for 3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline?
The canonical SMILES for 3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline is CNC(c1cccc(N)c1)c1cc(C(C)C)ccc1C.
What is the InChIKey of 3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline?
The InChIKey is QEPQRMIZBWDRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12(2)14-9-8-13(3)17(11-14)18(20-4)15-6-5-7-16(19)10-15/h5-12,18,20H,19H2,1-4H3.
What are the key properties of 3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline?
3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline has a molecular weight of 268.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 116951893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).