1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine

C15H23NO — CID 114229422

IUPAC1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine
SMILESCNCC1C(c2ccc(COC)cc2)C1(C)C
InChIInChI=1S/C15H23NO/c1-15(2)13(9-16-3)14(15)12-7-5-11(6-8-12)10-17-4/h5-8,13-14,16H,9-10H2,1-4H3
InChIKeyYMLQDTAYXGEDTH-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.79
Rot. Bonds5

About 1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine

1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine (PubChem CID 114229422) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine
PubChem CID114229422
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine
SMILESCNCC1C(c2ccc(COC)cc2)C1(C)C
InChIInChI=1S/C15H23NO/c1-15(2)13(9-16-3)14(15)12-7-5-11(6-8-12)10-17-4/h5-8,13-14,16H,9-10H2,1-4H3
InChIKeyYMLQDTAYXGEDTH-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
CID 60753020
1-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-4-(methoxymethyl)benzene
CID 141021415
N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine
CID 115654216
N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine
CID 114229873
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965630
N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine
CID 82710687
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
N,N-dihydroxy-4-(methoxymethyl)aniline
CID 90693796
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine (CID 114229422) is 1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine is CNCC1C(c2ccc(COC)cc2)C1(C)C.
What is the InChIKey of 1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine?
The InChIKey is YMLQDTAYXGEDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2)13(9-16-3)14(15)12-7-5-11(6-8-12)10-17-4/h5-8,13-14,16H,9-10H2,1-4H3.
What are the key properties of 1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine?
1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine has a molecular weight of 233.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(methoxymethyl)phenyl]-2,2-dimethylcyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 114229422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).