N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine

C19H27NO — CID 102647409

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H27NO/c1-2-20-18(17-12-6-9-15-21-17)19(13-7-8-14-19)16-10-4-3-5-11-16/h3-5,10-12,18,20H,2,6-9,13-15H2,1H3
InChIKeyAJULFJCNKRQWHX-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.17
Rot. Bonds5

About N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine

N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine (PubChem CID 102647409) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine
PubChem CID102647409
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H27NO/c1-2-20-18(17-12-6-9-15-21-17)19(13-7-8-14-19)16-10-4-3-5-11-16/h3-5,10-12,18,20H,2,6-9,13-15H2,1H3
InChIKeyAJULFJCNKRQWHX-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-dihydrofuran-5-yl-(1-phenylcyclopropyl)methyl]ethanamine
CID 102651499
N-ethyl-1-(1-phenylcyclopentyl)propan-1-amine
CID 63079391
1-[2,3-dihydrofuran-5-yl(ethylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 102651868
N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 55128692
3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine
CID 102647412
N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine
CID 102649116
N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102649448
N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 102648132
[3,4-dihydro-2H-pyran-6-yl-(1-ethylcyclopentyl)methyl]hydrazine
CID 102650304
1-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 102647756
1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102647750
N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine
CID 79590126

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine (CID 102647409) is N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine is CCNC(C1=CCCCO1)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine?
The InChIKey is AJULFJCNKRQWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-20-18(17-12-6-9-15-21-17)19(13-7-8-14-19)16-10-4-3-5-11-16/h3-5,10-12,18,20H,2,6-9,13-15H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.17, 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-(1-phenylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 102647409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).