N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine

C14H17NO2 — CID 60881685

IUPACN-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
SMILESC#CCOc1ccc(CNC2CC2)cc1OC
InChIInChI=1S/C14H17NO2/c1-3-8-17-13-7-4-11(9-14(13)16-2)10-15-12-5-6-12/h1,4,7,9,12,15H,5-6,8,10H2,2H3
InChIKeyCJURLKVFCHJNBV-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.96
Rot. Bonds6

About N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine

N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine (PubChem CID 60881685) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
PubChem CID60881685
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
SMILESC#CCOc1ccc(CNC2CC2)cc1OC
InChIInChI=1S/C14H17NO2/c1-3-8-17-13-7-4-11(9-14(13)16-2)10-15-12-5-6-12/h1,4,7,9,12,15H,5-6,8,10H2,2H3
InChIKeyCJURLKVFCHJNBV-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 60882435
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60881124
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
4-[(4-ethoxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509717
2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol
CID 111466387
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene
CID 155770275

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine (CID 60881685) is N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine is C#CCOc1ccc(CNC2CC2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine?
The InChIKey is CJURLKVFCHJNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-8-17-13-7-4-11(9-14(13)16-2)10-15-12-5-6-12/h1,4,7,9,12,15H,5-6,8,10H2,2H3.
What are the key properties of N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine?
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine has a molecular weight of 231.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 60881685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).