(2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine

C14H21N — CID 65422351

IUPAC(2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CC2C)cc1C
InChIInChI=1S/C14H21N/c1-8-5-10(3)12(6-9(8)2)14(15)13-7-11(13)4/h5-6,11,13-14H,7,15H2,1-4H3
InChIKeyHILKXVBYUBUJCJ-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.27
Rot. Bonds2

About (2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine

(2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 65422351) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID65422351
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CC2C)cc1C
InChIInChI=1S/C14H21N/c1-8-5-10(3)12(6-9(8)2)14(15)13-7-11(13)4/h5-6,11,13-14H,7,15H2,1-4H3
InChIKeyHILKXVBYUBUJCJ-UHFFFAOYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 5530
(1R,2S)-Tranylcypromine
CID 19493
(+)-Tranylcypromine
CID 26070
Parnate
CID 441233
2,5-Dimethylbenzeneethanamine
CID 211415
1-(4-Methylphenyl)ethylamine
CID 577386
5-Adpi
CID 192600
(1S,2S)-2-phenylcyclopropan-1-amine
CID 6604304
1-(Naphthalen-2-yl)ethan-1-amine
CID 3857145
4-Isopropylbenzylamine
CID 138221
2,5-Dimethylbenzylamine
CID 66735
2-(4-Tert-butyl-2,6-dimethylphenyl)ethan-1-amine
CID 2574642

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine (CID 65422351) is (2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)C2CC2C)cc1C.
What is the InChIKey of (2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is HILKXVBYUBUJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-8-5-10(3)12(6-9(8)2)14(15)13-7-11(13)4/h5-6,11,13-14H,7,15H2,1-4H3.
What are the key properties of (2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine?
(2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 203.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 65422351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).