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

C18H27NO2 — CID 43770815

IUPACN-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
SMILESCCC(NCCCOCC1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H27NO2/c1-2-17(19-9-3-10-20-13-14-4-5-14)15-6-7-18-16(12-15)8-11-21-18/h6-7,12,14,17,19H,2-5,8-11,13H2,1H3
InChIKeyVPZLSRNZCZXVQZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.48
Rot. Bonds9

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

N-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine (PubChem CID 43770815) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
PubChem CID43770815
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
SMILESCCC(NCCCOCC1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H27NO2/c1-2-17(19-9-3-10-20-13-14-4-5-14)15-6-7-18-16(12-15)8-11-21-18/h6-7,12,14,17,19H,2-5,8-11,13H2,1H3
InChIKeyVPZLSRNZCZXVQZ-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-propoxypropyl)propan-1-amine
CID 82941487
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
N-(2-cyclohexylethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 63450791
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 63727497
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine
CID 103786894
methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate
CID 43774755
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2,3-dimethylbutan-1-amine
CID 64568486
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43768025
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716082
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 115708619
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine (CID 43770815) is N-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine is CCC(NCCCOCC1CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The InChIKey is VPZLSRNZCZXVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-17(19-9-3-10-20-13-14-4-5-14)15-6-7-18-16(12-15)8-11-21-18/h6-7,12,14,17,19H,2-5,8-11,13H2,1H3.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
N-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine is sourced from PubChem (CID 43770815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).