N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine

C17H23NO — CID 102649116

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CC1c1ccccc1
InChIInChI=1S/C17H23NO/c1-2-18-17(16-10-6-7-11-19-16)15-12-14(15)13-8-4-3-5-9-13/h3-5,8-10,14-15,17-18H,2,6-7,11-12H2,1H3
InChIKeyMRQSETLOOFUKKI-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.46
Rot. Bonds5

About N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine

N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine (PubChem CID 102649116) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine
PubChem CID102649116
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1CC1c1ccccc1
InChIInChI=1S/C17H23NO/c1-2-18-17(16-10-6-7-11-19-16)15-12-14(15)13-8-4-3-5-9-13/h3-5,8-10,14-15,17-18H,2,6-7,11-12H2,1H3
InChIKeyMRQSETLOOFUKKI-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydrofuran-5-yl-(2-phenylcyclopropyl)methanamine
CID 102653053
N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine
CID 102647409
N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052605
N-[3,4-dihydro-2H-pyran-6-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346139
N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517759
N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 102647225
N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102652139
N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517426
N-ethyl-3,3,3-trifluoro-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517402
N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052701
N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052491

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine (CID 102649116) is N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine is CCNC(C1=CCCCO1)C1CC1c1ccccc1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is MRQSETLOOFUKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-18-17(16-10-6-7-11-19-16)15-12-14(15)13-8-4-3-5-9-13/h3-5,8-10,14-15,17-18H,2,6-7,11-12H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 102649116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).