2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine

C18H30N2O — CID 62580601

IUPAC2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCCN1CCOc1ccccc1
InChIInChI=1S/C18H30N2O/c1-18(2,3)19-15-16-9-7-8-12-20(16)13-14-21-17-10-5-4-6-11-17/h4-6,10-11,16,19H,7-9,12-15H2,1-3H3
InChIKeyVXEPMXAFEQKJSC-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.31
Rot. Bonds6

About 2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine

2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine (PubChem CID 62580601) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine
PubChem CID62580601
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCCN1CCOc1ccccc1
InChIInChI=1S/C18H30N2O/c1-18(2,3)19-15-16-9-7-8-12-20(16)13-14-21-17-10-5-4-6-11-17/h4-6,10-11,16,19H,7-9,12-15H2,1-3H3
InChIKeyVXEPMXAFEQKJSC-UHFFFAOYSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(2-phenoxyethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928558
N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62937477
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580597
2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine
CID 80671046
N-[[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62580767
1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine
CID 56785924
1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986156
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006110
2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine
CID 23202756
2-methyl-N-[[1-(2-morpholin-4-ylethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62581128

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine (CID 62580601) is 2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine is CC(C)(C)NCC1CCCCN1CCOc1ccccc1.
What is the InChIKey of 2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is VXEPMXAFEQKJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,3)19-15-16-9-7-8-12-20(16)13-14-21-17-10-5-4-6-11-17/h4-6,10-11,16,19H,7-9,12-15H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62580601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).