N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine

C14H23NO2 — CID 119110601

IUPACN-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCC(NCC1CC1)c1ccco1
InChIInChI=1S/C14H23NO2/c1-11(2)9-16-10-13(14-4-3-7-17-14)15-8-12-5-6-12/h3-4,7,11-13,15H,5-6,8-10H2,1-2H3
InChIKeyIKSRBZYDOMSKTP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.99
Rot. Bonds8

About N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine

N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine (PubChem CID 119110601) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine
PubChem CID119110601
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCC(NCC1CC1)c1ccco1
InChIInChI=1S/C14H23NO2/c1-11(2)9-16-10-13(14-4-3-7-17-14)15-8-12-5-6-12/h3-4,7,11-13,15H,5-6,8-10H2,1-2H3
InChIKeyIKSRBZYDOMSKTP-UHFFFAOYSA-N
XLogP2.99
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 119036267
N-(cyclohexylmethyl)-1-(furan-2-yl)propan-1-amine
CID 62633963
1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 119106924
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438580
1-cyclopropyl-N-[1-(furan-2-yl)-2-methoxyethyl]propan-2-amine
CID 115726233
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine
CID 119125275
1-(furan-2-yl)-2-(2-methylpropoxy)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 119106925
1-(furan-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 119110603
(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81403301
1-(furan-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propan-1-amine
CID 62633818
N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide
CID 95293966
N-[2-(cyclopropylmethoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 62598356

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine (CID 119110601) is N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine is CC(C)COCC(NCC1CC1)c1ccco1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine?
The InChIKey is IKSRBZYDOMSKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)9-16-10-13(14-4-3-7-17-14)15-8-12-5-6-12/h3-4,7,11-13,15H,5-6,8-10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine?
N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 119110601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).