7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine

C20H18N2O — CID 22611381

IUPAC7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine
SMILESNc1cccc2c3c([nH]c12)C=C(OCc1ccccc1)C=CC3
InChIInChI=1S/C20H18N2O/c21-18-11-5-10-17-16-9-4-8-15(12-19(16)22-20(17)18)23-13-14-6-2-1-3-7-14/h1-8,10-12,22H,9,13,21H2
InChIKeyLINXARZSIQFPHG-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.42
Rot. Bonds3

About 7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine

7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine (PubChem CID 22611381) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine.

Molecular Properties

Compound Name7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine
PubChem CID22611381
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine
SMILESNc1cccc2c3c([nH]c12)C=C(OCc1ccccc1)C=CC3
InChIInChI=1S/C20H18N2O/c21-18-11-5-10-17-16-9-4-8-15(12-19(16)22-20(17)18)23-13-14-6-2-1-3-7-14/h1-8,10-12,22H,9,13,21H2
InChIKeyLINXARZSIQFPHG-UHFFFAOYSA-N
XLogP4.42
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(4-amino-5,10-dihydrocyclohepta[b]indol-7-yl)carbamate
CID 22611312
4-amino-5,10-dihydrocyclohepta[b]indole-7-carboxamide
CID 66939430
naphthalen-1-amine;phenylmethanamine
CID 23298608
5-phenylmethoxy-2H-pyran
CID 91151292
3-phenylmethoxy-1H-indol-2-amine
CID 152577928
1-methyl-4-phenylmethoxycyclohepta-1,3,5-triene;1H-1,2,4-triazole
CID 142246558
3-phenylmethoxybenzene-1,2-diamine;hydrochloride
CID 172882825
4-phenylmethoxy-1H-indene
CID 118181545
3-(2-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 171854760
2-cyclopropyl-3-phenylmethoxyaniline
CID 171391047
naphthalen-1-amine;2-phenylethanamine
CID 175144092
3,4-difluoro-2-phenylmethoxyaniline
CID 62532181

Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine?
The IUPAC name of 7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine (CID 22611381) is 7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine.
What is the SMILES notation for 7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine?
The canonical SMILES for 7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine is Nc1cccc2c3c([nH]c12)C=C(OCc1ccccc1)C=CC3.
What is the InChIKey of 7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine?
The InChIKey is LINXARZSIQFPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c21-18-11-5-10-17-16-9-4-8-15(12-19(16)22-20(17)18)23-13-14-6-2-1-3-7-14/h1-8,10-12,22H,9,13,21H2.
What are the key properties of 7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine?
7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine has a molecular weight of 302.38 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxy-5,10-dihydrocyclohepta[b]indol-4-amine is sourced from PubChem (CID 22611381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).