1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine

C16H25NO — CID 119110641

IUPAC1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine
SMILESCC(C)(C)OCc1cccc(CNCC2CC2)c1
InChIInChI=1S/C16H25NO/c1-16(2,3)18-12-15-6-4-5-14(9-15)11-17-10-13-7-8-13/h4-6,9,13,17H,7-8,10-12H2,1-3H3
InChIKeyJRFOBZUDSWFXHZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.50
Rot. Bonds6

About 1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine

1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine (PubChem CID 119110641) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine
PubChem CID119110641
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine
SMILESCC(C)(C)OCc1cccc(CNCC2CC2)c1
InChIInChI=1S/C16H25NO/c1-16(2,3)18-12-15-6-4-5-14(9-15)11-17-10-13-7-8-13/h4-6,9,13,17H,7-8,10-12H2,1-3H3
InChIKeyJRFOBZUDSWFXHZ-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 119107430
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113222
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 103270675
1-(cyclopropylmethyl)-3-ethyl-2-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]guanidine;hydroiodide
CID 111868381
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 119107424
N-[(2-fluorophenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119107414
N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119107449
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]propane-1-sulfonamide
CID 51107732
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 119107461
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-(4-nitrophenyl)methanamine
CID 119107427
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451744
1-hydroxy-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 110922178

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine (CID 119110641) is 1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine is CC(C)(C)OCc1cccc(CNCC2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine?
The InChIKey is JRFOBZUDSWFXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)18-12-15-6-4-5-14(9-15)11-17-10-13-7-8-13/h4-6,9,13,17H,7-8,10-12H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine?
1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine is sourced from PubChem (CID 119110641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).