N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine

C19H29NO — CID 114745571

IUPACN-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc2c1OCC2)C1CCCCCC1
InChIInChI=1S/C19H29NO/c1-2-13-20-18(15-8-5-3-4-6-9-15)17-11-7-10-16-12-14-21-19(16)17/h7,10-11,15,18,20H,2-6,8-9,12-14H2,1H3
InChIKeyKRWWHDRNRJIBGO-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.63
Rot. Bonds5

About N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine

N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine (PubChem CID 114745571) 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-7-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
PubChem CID114745571
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc2c1OCC2)C1CCCCCC1
InChIInChI=1S/C19H29NO/c1-2-13-20-18(15-8-5-3-4-6-9-15)17-11-7-10-16-12-14-21-19(16)17/h7,10-11,15,18,20H,2-6,8-9,12-14H2,1H3
InChIKeyKRWWHDRNRJIBGO-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 114745087
N-[2,3-dihydro-1-benzofuran-7-yl-(1,1-dioxothiolan-3-yl)methyl]propan-1-amine
CID 114745996
[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105232138
[cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105201988
[cyclohexyl(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
CID 105201959
N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine
CID 105189400
N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 114745895
cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914
N-[2,3-dihydro-1-benzofuran-7-yl(thian-2-yl)methyl]ethanamine
CID 114745936
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981055
N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 114745818

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine?
The IUPAC name of N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine (CID 114745571) is N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine is CCCNC(c1cccc2c1OCC2)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine?
The InChIKey is KRWWHDRNRJIBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-13-20-18(15-8-5-3-4-6-9-15)17-11-7-10-16-12-14-21-19(16)17/h7,10-11,15,18,20H,2-6,8-9,12-14H2,1H3.
What are the key properties of N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine?
N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.63, 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-7-yl)methyl]propan-1-amine is sourced from PubChem (CID 114745571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).