(4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine

C12H15ClN2 — CID 82545204

IUPAC(4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cccc(Cl)c2CN1C1CC1
InChIInChI=1S/C12H15ClN2/c13-11-3-1-2-9-10(11)7-15(8-4-5-8)12(9)6-14/h1-3,8,12H,4-7,14H2
InChIKeyPTLNTDPAZKPOEQ-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.32
Rot. Bonds2

About (4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine

(4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82545204) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82545204
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name(4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cccc(Cl)c2CN1C1CC1
InChIInChI=1S/C12H15ClN2/c13-11-3-1-2-9-10(11)7-15(8-4-5-8)12(9)6-14/h1-3,8,12H,4-7,14H2
InChIKeyPTLNTDPAZKPOEQ-UHFFFAOYSA-N
XLogP2.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
CID 82545163
(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545740
(2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545619
(2-cyclohexyl-1,3-dihydrobenzo[e]isoindol-3-yl)methanamine
CID 82544746
[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545681
2-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]butan-1-ol
CID 82545189
(2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545082
(2-cyclopropyl-4,5,6-trifluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82544719
(6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545315
(5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
CID 105480153
(2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545575
(7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544538

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine (CID 82545204) is (4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine is NCC1c2cccc(Cl)c2CN1C1CC1.
What is the InChIKey of (4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is PTLNTDPAZKPOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-11-3-1-2-9-10(11)7-15(8-4-5-8)12(9)6-14/h1-3,8,12H,4-7,14H2.
What are the key properties of (4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine?
(4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 222.72 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82545204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).