1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine

C17H21NO — CID 114377164

IUPAC1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1oc2cc3c(cc2c1C1CC1)CCCC3
InChIInChI=1S/C17H21NO/c1-18-10-16-17(11-6-7-11)14-8-12-4-2-3-5-13(12)9-15(14)19-16/h8-9,11,18H,2-7,10H2,1H3
InChIKeyGYHSYVXFQKXMQZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.91
Rot. Bonds3

About 1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine

1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine (PubChem CID 114377164) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine
PubChem CID114377164
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1oc2cc3c(cc2c1C1CC1)CCCC3
InChIInChI=1S/C17H21NO/c1-18-10-16-17(11-6-7-11)14-8-12-4-2-3-5-13(12)9-15(14)19-16/h8-9,11,18H,2-7,10H2,1H3
InChIKeyGYHSYVXFQKXMQZ-UHFFFAOYSA-N
XLogP3.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine with MolForge

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Related Compounds

N-[(3-cyclopropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine
CID 114376228
N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine
CID 114376554
N-[(3-ethyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]cyclopropanamine
CID 104842941
1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 114375475
N-[(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]propan-1-amine
CID 81049200
N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377188
N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114375390
N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114375397
N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114374961
1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine
CID 114376817
N,2-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-7-amine
CID 83905480
1-(7-bromo-5-chloro-3-cyclopropyl-4-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 114042910

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine (CID 114377164) is 1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine is CNCc1oc2cc3c(cc2c1C1CC1)CCCC3.
What is the InChIKey of 1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is GYHSYVXFQKXMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-18-10-16-17(11-6-7-11)14-8-12-4-2-3-5-13(12)9-15(14)19-16/h8-9,11,18H,2-7,10H2,1H3.
What are the key properties of 1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine?
1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114377164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).