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

C16H25NO — CID 79248643

IUPACN-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCc2ccc(OC)cc21
InChIInChI=1S/C16H25NO/c1-4-10-17-12(2)15-7-5-6-13-8-9-14(18-3)11-16(13)15/h8-9,11-12,15,17H,4-7,10H2,1-3H3
InChIKeyQKFZNQAULJPEME-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.50
Rot. Bonds5

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

N-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine (PubChem CID 79248643) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine
PubChem CID79248643
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCc2ccc(OC)cc21
InChIInChI=1S/C16H25NO/c1-4-10-17-12(2)15-7-5-6-13-8-9-14(18-3)11-16(13)15/h8-9,11-12,15,17H,4-7,10H2,1-3H3
InChIKeyQKFZNQAULJPEME-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylbutan-1-amine
CID 83050599
N-ethyl-1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 79368208
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
CID 79248252
N-ethyl-1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-amine
CID 79368390
N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239668
2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 81357749
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 79368775
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol
CID 79238909
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307
7-methoxy-N-(1-methoxybutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248596
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 79238997

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine (CID 79248643) is N-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine is CCCNC(C)C1CCCc2ccc(OC)cc21.
What is the InChIKey of N-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine?
The InChIKey is QKFZNQAULJPEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-10-17-12(2)15-7-5-6-13-8-9-14(18-3)11-16(13)15/h8-9,11-12,15,17H,4-7,10H2,1-3H3.
What are the key properties of N-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine?
N-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79248643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).