N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C17H25NO2 — CID 103845697

IUPACN-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCCOCC1CC1)CC2
InChIInChI=1S/C17H25NO2/c1-19-17-7-5-14-4-6-16(10-15(14)11-17)18-8-9-20-12-13-2-3-13/h5,7,11,13,16,18H,2-4,6,8-10,12H2,1H3
InChIKeyHLYIQPLNCYVJNR-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.57
Rot. Bonds7

About N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 103845697) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID103845697
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCCOCC1CC1)CC2
InChIInChI=1S/C17H25NO2/c1-19-17-7-5-14-4-6-16(10-15(14)11-17)18-8-9-20-12-13-2-3-13/h5,7,11,13,16,18H,2-4,6,8-10,12H2,1H3
InChIKeyHLYIQPLNCYVJNR-UHFFFAOYSA-N
XLogP2.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.57
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

AJ 76
CID 122334
[2-(3,4-Dimethyl-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10780510
2-Propylamino-5-methoxytetralin
CID 10242548
8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12741417
7-(prop-2-yn-1-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl N,N-dimethylcarbamate
CID 10924902
2-(Dimethylsulfamoylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 127034558
N-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 2846545
7-Methoxy-2-acetamido-tetralin
CID 10013697
Allyl-(1-allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine
CID 10015338
(trans)-(1-Cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine
CID 10038966
(trans)-Allyl-(1-allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine
CID 10061032
(8-Methoxy-1-propyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine
CID 10084026

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 103845697) is N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(NCCOCC1CC1)CC2.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HLYIQPLNCYVJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-17-7-5-14-4-6-16(10-15(14)11-17)18-8-9-20-12-13-2-3-13/h5,7,11,13,16,18H,2-4,6,8-10,12H2,1H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 275.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 103845697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).