N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine

C18H27NO — CID 102952051

IUPACN-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
SMILESCOc1ccc(C(C)NC2CCC23CCCCC3)cc1
InChIInChI=1S/C18H27NO/c1-14(15-6-8-16(20-2)9-7-15)19-17-10-13-18(17)11-4-3-5-12-18/h6-9,14,17,19H,3-5,10-13H2,1-2H3
InChIKeyNNVMNSUNIZJFIZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.46
Rot. Bonds4

About N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine

N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine (PubChem CID 102952051) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
PubChem CID102952051
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
SMILESCOc1ccc(C(C)NC2CCC23CCCCC3)cc1
InChIInChI=1S/C18H27NO/c1-14(15-6-8-16(20-2)9-7-15)19-17-10-13-18(17)11-4-3-5-12-18/h6-9,14,17,19H,3-5,10-13H2,1-2H3
InChIKeyNNVMNSUNIZJFIZ-UHFFFAOYSA-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

N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
CID 102952169
(4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine
CID 118247870
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79857327
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
(4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine
CID 118247869
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81368051
N-[1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43683824
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 81371394
N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 81370566

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine (CID 102952051) is N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine is COc1ccc(C(C)NC2CCC23CCCCC3)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine?
The InChIKey is NNVMNSUNIZJFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14(15-6-8-16(20-2)9-7-15)19-17-10-13-18(17)11-4-3-5-12-18/h6-9,14,17,19H,3-5,10-13H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine?
N-[1-(4-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-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102952051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).