N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine

C18H22N2 — CID 115212957

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
SMILESCN(Cc1cccc(CN)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2/c1-20(13-15-5-2-4-14(10-15)12-19)18-9-8-16-6-3-7-17(16)11-18/h2,4-5,8-11H,3,6-7,12-13,19H2,1H3
InChIKeyDWMMFBBCAMRSBQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.27
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine

N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine (PubChem CID 115212957) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
PubChem CID115212957
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
SMILESCN(Cc1cccc(CN)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2/c1-20(13-15-5-2-4-14(10-15)12-19)18-9-8-16-6-3-7-17(16)11-18/h2,4-5,8-11H,3,6-7,12-13,19H2,1H3
InChIKeyDWMMFBBCAMRSBQ-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115211829
N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 117041504
5,6,7,8-tetrahydronaphthalen-2-ylmethanamine;hydrochloride
CID 18993882
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115258329
[3-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]methanamine
CID 61032630
N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204299
2,3-dihydro-1H-indene;phenylmethanamine
CID 70078928
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline
CID 62971006
N-(methoxymethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115258314
3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propane-1-thiol
CID 115224698
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115249300

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine (CID 115212957) is N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine is CN(Cc1cccc(CN)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine?
The InChIKey is DWMMFBBCAMRSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-20(13-15-5-2-4-14(10-15)12-19)18-9-8-16-6-3-7-17(16)11-18/h2,4-5,8-11H,3,6-7,12-13,19H2,1H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine?
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine has a molecular weight of 266.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 115212957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).