N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine

C19H29NO — CID 82932855

IUPACN-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCCC1)C1Cc2ccccc2O1
InChIInChI=1S/C19H29NO/c1-2-13-20-19(15-9-5-3-4-6-10-15)18-14-16-11-7-8-12-17(16)21-18/h7-8,11-12,15,18-20H,2-6,9-10,13-14H2,1H3
InChIKeyDMRQAPCKBBIGPO-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.33
Rot. Bonds5

About N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine

N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 82932855) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID82932855
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCCC1)C1Cc2ccccc2O1
InChIInChI=1S/C19H29NO/c1-2-13-20-19(15-9-5-3-4-6-10-15)18-14-16-11-7-8-12-17(16)21-18/h7-8,11-12,15,18-20H,2-6,9-10,13-14H2,1H3
InChIKeyDMRQAPCKBBIGPO-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclopentyl(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]propan-1-amine
CID 106601791
1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine
CID 107894211
N-[2,3-dihydro-1-benzofuran-2-yl-(4-methylphenyl)methyl]propan-1-amine
CID 43495091
N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
CID 63418251
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475790
[2,3-dihydro-1-benzofuran-2-yl(oxan-4-yl)methyl]hydrazine
CID 105262895
N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 65404987
N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 107136482
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine
CID 43490812
N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114981755

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine (CID 82932855) is N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNC(C1CCCCCC1)C1Cc2ccccc2O1.
What is the InChIKey of N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is DMRQAPCKBBIGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-13-20-19(15-9-5-3-4-6-10-15)18-14-16-11-7-8-12-17(16)21-18/h7-8,11-12,15,18-20H,2-6,9-10,13-14H2,1H3.
What are the key properties of N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 82932855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).