(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine

C18H22N2 — CID 81350665

IUPAC(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine
SMILESC[C@@H](NCc1ccc2c(c1)CCN2C)c1ccccc1
InChIInChI=1S/C18H22N2/c1-14(16-6-4-3-5-7-16)19-13-15-8-9-18-17(12-15)10-11-20(18)2/h3-9,12,14,19H,10-11,13H2,1-2H3/t14-/m1/s1
InChIKeyPRRRDYSHNBRFCG-CQSZACIVSA-N
MW266.39 g/mol
LogP3.53
Rot. Bonds4

About (1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine

(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine (PubChem CID 81350665) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine
PubChem CID81350665
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine
SMILESC[C@@H](NCc1ccc2c(c1)CCN2C)c1ccccc1
InChIInChI=1S/C18H22N2/c1-14(16-6-4-3-5-7-16)19-13-15-8-9-18-17(12-15)10-11-20(18)2/h3-9,12,14,19H,10-11,13H2,1-2H3/t14-/m1/s1
InChIKeyPRRRDYSHNBRFCG-CQSZACIVSA-N
XLogP3.53
TPSA15.27 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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 81351126
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
CID 62096505
5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine
CID 62096489
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62095975
1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 65047506
(1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 81402693
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 79230833
2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(1-phenylethyl)guanidine
CID 110948470
N-benzyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 65385490
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine (CID 81350665) is (1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine is C[C@@H](NCc1ccc2c(c1)CCN2C)c1ccccc1.
What is the InChIKey of (1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine?
The InChIKey is PRRRDYSHNBRFCG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2/c1-14(16-6-4-3-5-7-16)19-13-15-8-9-18-17(12-15)10-11-20(18)2/h3-9,12,14,19H,10-11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine?
(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 81350665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).