N-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine

C13H19NO2 — CID 117107426

IUPACN-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine
SMILESCOCC1(c2ccc(CNOC)cc2)CC1
InChIInChI=1S/C13H19NO2/c1-15-10-13(7-8-13)12-5-3-11(4-6-12)9-14-16-2/h3-6,14H,7-10H2,1-2H3
InChIKeyJIVALLTYMMCSMI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds6

About N-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine

N-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine (PubChem CID 117107426) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine
PubChem CID117107426
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine
SMILESCOCC1(c2ccc(CNOC)cc2)CC1
InChIInChI=1S/C13H19NO2/c1-15-10-13(7-8-13)12-5-3-11(4-6-12)9-14-16-2/h3-6,14H,7-10H2,1-2H3
InChIKeyJIVALLTYMMCSMI-UHFFFAOYSA-N
XLogP2.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 123885865
CID 123885865
1-ethyl-4-[1-[[1-(4-ethylphenyl)cyclopropyl]methoxymethyl]cyclopropyl]benzene
CID 56620627
1-[4-(1-ethylcyclopropyl)phenyl]-N-methylmethanamine
CID 166794538
2-[4-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine
CID 117116766
1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine
CID 117279581
4-(4-chlorophenyl)-4-(methoxymethyl)piperidine
CID 58117649
4-[1-(methoxymethyl)cyclopentyl]benzonitrile
CID 67480439
[3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol
CID 117115755
2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene
CID 138473183
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine
CID 23499567
4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine
CID 82480025
N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine
CID 115004660

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine?
The IUPAC name of N-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine (CID 117107426) is N-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine.
What is the SMILES notation for N-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine?
The canonical SMILES for N-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine is COCC1(c2ccc(CNOC)cc2)CC1.
What is the InChIKey of N-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine?
The InChIKey is JIVALLTYMMCSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-10-13(7-8-13)12-5-3-11(4-6-12)9-14-16-2/h3-6,14H,7-10H2,1-2H3.
What are the key properties of N-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine?
N-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-[1-(methoxymethyl)cyclopropyl]phenyl]methanamine is sourced from PubChem (CID 117107426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).