1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine

C12H17NO2 — CID 117296328

IUPAC1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(OCC2CC2)cc1
InChIInChI=1S/C12H17NO2/c1-14-13-8-10-4-6-12(7-5-10)15-9-11-2-3-11/h4-7,11,13H,2-3,8-9H2,1H3
InChIKeyVVLVBHOTBBIPQX-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.13
Rot. Bonds6

About 1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine

1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine (PubChem CID 117296328) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
PubChem CID117296328
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(OCC2CC2)cc1
InChIInChI=1S/C12H17NO2/c1-14-13-8-10-4-6-12(7-5-10)15-9-11-2-3-11/h4-7,11,13H,2-3,8-9H2,1H3
InChIKeyVVLVBHOTBBIPQX-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.13
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

1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117460986
1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene
CID 22416597
N-methoxy-1-(4-prop-2-enoxyphenyl)methanamine
CID 82706596
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117313353
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide
CID 10490793
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutanoic acid
CID 120510622
1-[2-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296327
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
(4-ethylphenoxy)methylcycloheptane
CID 142027305
N-methoxy-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]methanamine
CID 115005034
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine (CID 117296328) is 1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine is CONCc1ccc(OCC2CC2)cc1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine?
The InChIKey is VVLVBHOTBBIPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-13-8-10-4-6-12(7-5-10)15-9-11-2-3-11/h4-7,11,13H,2-3,8-9H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine?
1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine has a molecular weight of 207.27 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine is sourced from PubChem (CID 117296328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).