N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine

C16H25NO2 — CID 62106084

IUPACN-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine
SMILESCOc1cccc(C(CNC(C)C)OCC2CC2)c1
InChIInChI=1S/C16H25NO2/c1-12(2)17-10-16(19-11-13-7-8-13)14-5-4-6-15(9-14)18-3/h4-6,9,12-13,16-17H,7-8,10-11H2,1-3H3
InChIKeyMRSUFJYZDNQDTL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds8

About N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine

N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine (PubChem CID 62106084) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine
PubChem CID62106084
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine
SMILESCOc1cccc(C(CNC(C)C)OCC2CC2)c1
InChIInChI=1S/C16H25NO2/c1-12(2)17-10-16(19-11-13-7-8-13)14-5-4-6-15(9-14)18-3/h4-6,9,12-13,16-17H,7-8,10-11H2,1-3H3
InChIKeyMRSUFJYZDNQDTL-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylmethoxy)-2-(3-methoxyphenyl)ethanamine
CID 62383844
N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine
CID 62383877
N-[2-butan-2-yloxy-2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 62107144
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62107947
N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine
CID 62110909
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine
CID 106204997
2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 106205144
2-(cyclopropylmethoxy)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62106439
2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine
CID 62107327
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107945

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine (CID 62106084) is N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine is COc1cccc(C(CNC(C)C)OCC2CC2)c1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine?
The InChIKey is MRSUFJYZDNQDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)17-10-16(19-11-13-7-8-13)14-5-4-6-15(9-14)18-3/h4-6,9,12-13,16-17H,7-8,10-11H2,1-3H3.
What are the key properties of N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine?
N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 62106084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).