N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine

C18H29NO2 — CID 62583134

IUPACN-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
SMILESCCOCCCNCC(C)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C18H29NO2/c1-3-20-12-6-11-19-14-15(2)21-18-10-9-16-7-4-5-8-17(16)13-18/h9-10,13,15,19H,3-8,11-12,14H2,1-2H3
InChIKeyYRDGYOWRDYZNHE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.35
Rot. Bonds9

About N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine

N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine (PubChem CID 62583134) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
PubChem CID62583134
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
SMILESCCOCCCNCC(C)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C18H29NO2/c1-3-20-12-6-11-19-14-15(2)21-18-10-9-16-7-4-5-8-17(16)13-18/h9-10,13,15,19H,3-8,11-12,14H2,1-2H3
InChIKeyYRDGYOWRDYZNHE-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597357
2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597760
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55093056
3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496310
4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine
CID 62460723
N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62486153
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
N-(3-ethoxypropyl)-2-quinolin-7-yloxypropan-1-amine
CID 107315345
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine
CID 82353891
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine
CID 103228424
1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine
CID 105152368

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine (CID 62583134) is N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine is CCOCCCNCC(C)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine?
The InChIKey is YRDGYOWRDYZNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-20-12-6-11-19-14-15(2)21-18-10-9-16-7-4-5-8-17(16)13-18/h9-10,13,15,19H,3-8,11-12,14H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine?
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine is sourced from PubChem (CID 62583134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).