N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine

C16H25NO — CID 43756597

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
SMILESCCC(CC)NC(CC)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H25NO/c1-4-14(5-2)17-15(6-3)12-7-8-16-13(11-12)9-10-18-16/h7-8,11,14-15,17H,4-6,9-10H2,1-3H3
InChIKeyKDYYWSYCVMKWNK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.85
Rot. Bonds6

About N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine

N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine (PubChem CID 43756597) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
PubChem CID43756597
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
SMILESCCC(CC)NC(CC)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H25NO/c1-4-14(5-2)17-15(6-3)12-7-8-16-13(11-12)9-10-18-16/h7-8,11,14-15,17H,4-6,9-10H2,1-3H3
InChIKeyKDYYWSYCVMKWNK-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-6-methylheptan-2-amine
CID 43769265
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-2-amine
CID 115725246
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2,3-dimethylbutan-1-amine
CID 64568486
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81399477
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 61475275
N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 115712953
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43768025

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine (CID 43756597) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine is CCC(CC)NC(CC)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine?
The InChIKey is KDYYWSYCVMKWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-14(5-2)17-15(6-3)12-7-8-16-13(11-12)9-10-18-16/h7-8,11,14-15,17H,4-6,9-10H2,1-3H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine has a molecular weight of 247.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine is sourced from PubChem (CID 43756597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).