N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine

C18H27NO — CID 102952169

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
SMILESCOc1cccc([C@H](C)NC2CCC23CCCCC3)c1
InChIInChI=1S/C18H27NO/c1-14(15-7-6-8-16(13-15)20-2)19-17-9-12-18(17)10-4-3-5-11-18/h6-8,13-14,17,19H,3-5,9-12H2,1-2H3/t14-,17?/m0/s1
InChIKeyHXQMPCXRHIHLED-MBIQTGHCSA-N
MW273.42 g/mol
LogP4.46
Rot. Bonds4

About N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine

N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine (PubChem CID 102952169) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
PubChem CID102952169
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
SMILESCOc1cccc([C@H](C)NC2CCC23CCCCC3)c1
InChIInChI=1S/C18H27NO/c1-14(15-7-6-8-16(13-15)20-2)19-17-9-12-18(17)10-4-3-5-11-18/h6-8,13-14,17,19H,3-5,9-12H2,1-2H3/t14-,17?/m0/s1
InChIKeyHXQMPCXRHIHLED-MBIQTGHCSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 81376200
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
CID 81375713
N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine
CID 83229346
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 81375776
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575
N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113250286
1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 63478190

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine (CID 102952169) is N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine is COc1cccc([C@H](C)NC2CCC23CCCCC3)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine?
The InChIKey is HXQMPCXRHIHLED-MBIQTGHCSA-N. The full InChI is InChI=1S/C18H27NO/c1-14(15-7-6-8-16(13-15)20-2)19-17-9-12-18(17)10-4-3-5-11-18/h6-8,13-14,17,19H,3-5,9-12H2,1-2H3/t14-,17?/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine?
N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine has a molecular weight of 273.42 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102952169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).