2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine

C18H29NO — CID 102940491

IUPAC2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(COCc2ccccc2)CCCC1
InChIInChI=1S/C18H29NO/c1-17(2,3)19-14-18(11-7-8-12-18)15-20-13-16-9-5-4-6-10-16/h4-6,9-10,19H,7-8,11-15H2,1-3H3
InChIKeyUHBZOCUZVMMNLM-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.15
Rot. Bonds6

About 2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine

2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 102940491) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine
PubChem CID102940491
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(COCc2ccccc2)CCCC1
InChIInChI=1S/C18H29NO/c1-17(2,3)19-14-18(11-7-8-12-18)15-20-13-16-9-5-4-6-10-16/h4-6,9-10,19H,7-8,11-15H2,1-3H3
InChIKeyUHBZOCUZVMMNLM-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine (CID 102940491) is 2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine is CC(C)(C)NCC1(COCc2ccccc2)CCCC1.
What is the InChIKey of 2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is UHBZOCUZVMMNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,3)19-14-18(11-7-8-12-18)15-20-13-16-9-5-4-6-10-16/h4-6,9-10,19H,7-8,11-15H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine?
2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 102940491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).