N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine

C16H25NO2 — CID 106929162

IUPACN-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1OCOCC1CC1
InChIInChI=1S/C16H25NO2/c1-3-10-17-13(2)15-6-4-5-7-16(15)19-12-18-11-14-8-9-14/h4-7,13-14,17H,3,8-12H2,1-2H3
InChIKeyFNWIYDMSBOGDCB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.51
Rot. Bonds9

About N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine

N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 106929162) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine
PubChem CID106929162
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1OCOCC1CC1
InChIInChI=1S/C16H25NO2/c1-3-10-17-13(2)15-6-4-5-7-16(15)19-12-18-11-14-8-9-14/h4-7,13-14,17H,3,8-12H2,1-2H3
InChIKeyFNWIYDMSBOGDCB-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine
CID 106929153
3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115890665
N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine
CID 54932052
N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine
CID 82000646
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
CID 54804997
N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
CID 60882886
N-propyl-2-[2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43279683
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]propan-2-amine
CID 106929383
N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63020465
1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 113234990
1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine
CID 106929188

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine (CID 106929162) is N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1OCOCC1CC1.
What is the InChIKey of N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is FNWIYDMSBOGDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-10-17-13(2)15-6-4-5-7-16(15)19-12-18-11-14-8-9-14/h4-7,13-14,17H,3,8-12H2,1-2H3.
What are the key properties of N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine?
N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 106929162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).