N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine

C14H22N2 — CID 83836841

IUPACN-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine
SMILESCNCCc1ccc2c(c1)CN(C(C)C)C2
InChIInChI=1S/C14H22N2/c1-11(2)16-9-13-5-4-12(6-7-15-3)8-14(13)10-16/h4-5,8,11,15H,6-7,9-10H2,1-3H3
InChIKeyXHMQKQLEEIHFON-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.17
Rot. Bonds4

About N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine

N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine (PubChem CID 83836841) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine
PubChem CID83836841
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine
SMILESCNCCc1ccc2c(c1)CN(C(C)C)C2
InChIInChI=1S/C14H22N2/c1-11(2)16-9-13-5-4-12(6-7-15-3)8-14(13)10-16/h4-5,8,11,15H,6-7,9-10H2,1-3H3
InChIKeyXHMQKQLEEIHFON-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine
CID 117333060
5-(azepan-1-ylmethyl)-2-propan-2-yl-1,3-dihydroisoindole
CID 135197011
6-[2-(methylamino)ethyl]-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 117044162
2,2-dimethyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid
CID 117408085
N-methyl-2-(1-propyl-2,3-dihydroindol-6-yl)ethanamine
CID 115105803
N-methyl-2-(2-methyl-1-propan-2-ylindol-5-yl)ethanamine
CID 117204605
5-(methylaminomethyl)-1,3-dihydroisoindole-2-carbaldehyde
CID 175530808
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
CID 110459252
2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one
CID 83840436
1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine
CID 82163744
2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459877
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine (CID 83836841) is N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine is CNCCc1ccc2c(c1)CN(C(C)C)C2.
What is the InChIKey of N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine?
The InChIKey is XHMQKQLEEIHFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)16-9-13-5-4-12(6-7-15-3)8-14(13)10-16/h4-5,8,11,15H,6-7,9-10H2,1-3H3.
What are the key properties of N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine?
N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine is sourced from PubChem (CID 83836841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).