N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine

C22H28FNO — CID 67867995

IUPACN-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine
SMILESCCNCC(COc1cccc2c1CCCC2)Cc1cccc(F)c1
InChIInChI=1S/C22H28FNO/c1-2-24-15-18(13-17-7-5-10-20(23)14-17)16-25-22-12-6-9-19-8-3-4-11-21(19)22/h5-7,9-10,12,14,18,24H,2-4,8,11,13,15-16H2,1H3
InChIKeyTWTMEQWIRPNVNZ-UHFFFAOYSA-N
MW341.47 g/mol
LogP4.55
Rot. Bonds8

About N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine

N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine (PubChem CID 67867995) has the molecular formula C22H28FNO and a molecular weight of 341.47 g/mol. Its IUPAC name is N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine
PubChem CID67867995
Molecular FormulaC22H28FNO
Molecular Weight341.47 g/mol
Exact Mass341.22
IUPAC NameN-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine
SMILESCCNCC(COc1cccc2c1CCCC2)Cc1cccc(F)c1
InChIInChI=1S/C22H28FNO/c1-2-24-15-18(13-17-7-5-10-20(23)14-17)16-25-22-12-6-9-19-8-3-4-11-21(19)22/h5-7,9-10,12,14,18,24H,2-4,8,11,13,15-16H2,1H3
InChIKeyTWTMEQWIRPNVNZ-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 103984333
2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 67868038
N-ethyl-2-[(3-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456673
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 63521196
5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 66041314
2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 62550386
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915
N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052991
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 55134646

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine?
The IUPAC name of N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine (CID 67867995) is N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine is CCNCC(COc1cccc2c1CCCC2)Cc1cccc(F)c1.
What is the InChIKey of N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine?
The InChIKey is TWTMEQWIRPNVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO/c1-2-24-15-18(13-17-7-5-10-20(23)14-17)16-25-22-12-6-9-19-8-3-4-11-21(19)22/h5-7,9-10,12,14,18,24H,2-4,8,11,13,15-16H2,1H3.
What are the key properties of N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine?
N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine has a molecular weight of 341.47 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine is sourced from PubChem (CID 67867995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).