N-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine

C19H21N3 — CID 69188935

IUPACN-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine
SMILESCNC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1
InChIInChI=1S/C19H21N3/c1-20-12-14-11-16-15-9-5-6-10-17(15)22-19(16)18(21-14)13-7-3-2-4-8-13/h2-10,14,18,20-22H,11-12H2,1H3/t14-,18-/m0/s1
InChIKeyPFAKAENAXAZQFS-KSSFIOAISA-N
MW291.40 g/mol
LogP2.99
Rot. Bonds3

About N-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine

N-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine (PubChem CID 69188935) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine
PubChem CID69188935
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine
SMILESCNC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1
InChIInChI=1S/C19H21N3/c1-20-12-14-11-16-15-9-5-6-10-17(15)22-19(16)18(21-14)13-7-3-2-4-8-13/h2-10,14,18,20-22H,11-12H2,1H3/t14-,18-/m0/s1
InChIKeyPFAKAENAXAZQFS-KSSFIOAISA-N
XLogP2.99
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine (CID 69188935) is N-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine is CNC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1.
What is the InChIKey of N-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine?
The InChIKey is PFAKAENAXAZQFS-KSSFIOAISA-N. The full InChI is InChI=1S/C19H21N3/c1-20-12-14-11-16-15-9-5-6-10-17(15)22-19(16)18(21-14)13-7-3-2-4-8-13/h2-10,14,18,20-22H,11-12H2,1H3/t14-,18-/m0/s1.
What are the key properties of N-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine?
N-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine has a molecular weight of 291.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1S,3S)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanamine is sourced from PubChem (CID 69188935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).