N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine

C14H21NO — CID 62455961

IUPACN-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)OCc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H21NO/c1-11(2)16-10-13-5-3-4-12(8-13)9-15-14-6-7-14/h3-5,8,11,14-15H,6-7,9-10H2,1-2H3
InChIKeyXNTHXJMSKIGZFA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.86
Rot. Bonds6

About N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine

N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine (PubChem CID 62455961) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
PubChem CID62455961
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)OCc1cccc(CNC2CC2)c1
InChIInChI=1S/C14H21NO/c1-11(2)16-10-13-5-3-4-12(8-13)9-15-14-6-7-14/h3-5,8,11,14-15H,6-7,9-10H2,1-2H3
InChIKeyXNTHXJMSKIGZFA-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 102987001
N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine
CID 62443430
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine
CID 103285638
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine
CID 62442455
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309

Frequently Asked Questions

What is the IUPAC name of N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine (CID 62455961) is N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine is CC(C)OCc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is XNTHXJMSKIGZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)16-10-13-5-3-4-12(8-13)9-15-14-6-7-14/h3-5,8,11,14-15H,6-7,9-10H2,1-2H3.
What are the key properties of N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine?
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 219.33 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62455961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).