N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine

C18H24ClNO — CID 105045894

IUPACN-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cc(Cl)ccc2o1)C1(C)CCCC1
InChIInChI=1S/C18H24ClNO/c1-3-10-20-17(18(2)8-4-5-9-18)16-12-13-11-14(19)6-7-15(13)21-16/h6-7,11-12,17,20H,3-5,8-10H2,1-2H3
InChIKeyJFYYLUJEYMBZBW-UHFFFAOYSA-N
MW305.85 g/mol
LogP5.71
Rot. Bonds5

About N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine

N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 105045894) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
PubChem CID105045894
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC NameN-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cc(Cl)ccc2o1)C1(C)CCCC1
InChIInChI=1S/C18H24ClNO/c1-3-10-20-17(18(2)8-4-5-9-18)16-12-13-11-14(19)6-7-15(13)21-16/h6-7,11-12,17,20H,3-5,8-10H2,1-2H3
InChIKeyJFYYLUJEYMBZBW-UHFFFAOYSA-N
XLogP5.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.85
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105045875
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 105045970
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114730060
1-(5-chloro-1-benzofuran-2-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105185639
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105046277
3-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735577
1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine
CID 114733405
N-[(3-bromothiophen-2-yl)-(5-chloro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045794
N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 105185696
N-[(5-chloro-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 114730026
4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine
CID 114733353

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine (CID 105045894) is N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1cc2cc(Cl)ccc2o1)C1(C)CCCC1.
What is the InChIKey of N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is JFYYLUJEYMBZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c1-3-10-20-17(18(2)8-4-5-9-18)16-12-13-11-14(19)6-7-15(13)21-16/h6-7,11-12,17,20H,3-5,8-10H2,1-2H3.
What are the key properties of N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine?
N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 105045894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).