N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine

C19H22N2 — CID 62437838

IUPACN-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CN(Cc1ccc(CNC3CC3)cc1)C2
InChIInChI=1S/C19H22N2/c1-2-4-18-14-21(13-17(18)3-1)12-16-7-5-15(6-8-16)11-20-19-9-10-19/h1-8,19-20H,9-14H2
InChIKeyJDMHNEVABFMEJE-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.45
Rot. Bonds5

About N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine

N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine (PubChem CID 62437838) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine
PubChem CID62437838
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CN(Cc1ccc(CNC3CC3)cc1)C2
InChIInChI=1S/C19H22N2/c1-2-4-18-14-21(13-17(18)3-1)12-16-7-5-15(6-8-16)11-20-19-9-10-19/h1-8,19-20H,9-14H2
InChIKeyJDMHNEVABFMEJE-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107555459
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 114540058
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801
1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine
CID 70166037
1-benzyl-N-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-amine
CID 10177971
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62420771
1-benzyl-N-[(4-phenylphenyl)methyl]azepan-4-amine;ethane
CID 142128621
N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine
CID 63805737
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine
CID 44534713

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine (CID 62437838) is N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine is c1ccc2c(c1)CN(Cc1ccc(CNC3CC3)cc1)C2.
What is the InChIKey of N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is JDMHNEVABFMEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-4-18-14-21(13-17(18)3-1)12-16-7-5-15(6-8-16)11-20-19-9-10-19/h1-8,19-20H,9-14H2.
What are the key properties of N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine?
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 278.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62437838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).