N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine

C18H29NO — CID 62042774

IUPACN-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine
SMILESCCCNC(CCC)COC1CCCc2ccccc21
InChIInChI=1S/C18H29NO/c1-3-8-16(19-13-4-2)14-20-18-12-7-10-15-9-5-6-11-17(15)18/h5-6,9,11,16,18-19H,3-4,7-8,10,12-14H2,1-2H3
InChIKeyFYSUEWAOBJSSCS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.25
Rot. Bonds8

About N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine

N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine (PubChem CID 62042774) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine
PubChem CID62042774
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine
SMILESCCCNC(CCC)COC1CCCc2ccccc21
InChIInChI=1S/C18H29NO/c1-3-8-16(19-13-4-2)14-20-18-12-7-10-15-9-5-6-11-17(15)18/h5-6,9,11,16,18-19H,3-4,7-8,10,12-14H2,1-2H3
InChIKeyFYSUEWAOBJSSCS-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 55241508
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine
CID 62571109
1-[2-(bromomethyl)-3-methylbutoxy]-1,2,3,4-tetrahydronaphthalene
CID 65012285
1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene
CID 64994914
1-[methyl(propyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110909701
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
CID 64803202
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 55188345
(2R)-1-[2-hydroxyethyl(propyl)amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 124804735
2-(ethylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanamide
CID 63039289
3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonyl chloride
CID 65013134
3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide
CID 65012895

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine?
The IUPAC name of N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine (CID 62042774) is N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine.
What is the SMILES notation for N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine?
The canonical SMILES for N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine is CCCNC(CCC)COC1CCCc2ccccc21.
What is the InChIKey of N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine?
The InChIKey is FYSUEWAOBJSSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-8-16(19-13-4-2)14-20-18-12-7-10-15-9-5-6-11-17(15)18/h5-6,9,11,16,18-19H,3-4,7-8,10,12-14H2,1-2H3.
What are the key properties of N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine?
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine is sourced from PubChem (CID 62042774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).