N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine

C17H27NO3 — CID 116722688

IUPACN-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(c1cc(OC)cc(OC)c1)C(OC)C1CC1
InChIInChI=1S/C17H27NO3/c1-5-8-18-16(17(21-4)12-6-7-12)13-9-14(19-2)11-15(10-13)20-3/h9-12,16-18H,5-8H2,1-4H3
InChIKeyBJUZGERMDTXWCM-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.17
Rot. Bonds9

About N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine

N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine (PubChem CID 116722688) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine
PubChem CID116722688
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(c1cc(OC)cc(OC)c1)C(OC)C1CC1
InChIInChI=1S/C17H27NO3/c1-5-8-18-16(17(21-4)12-6-7-12)13-9-14(19-2)11-15(10-13)20-3/h9-12,16-18H,5-8H2,1-4H3
InChIKeyBJUZGERMDTXWCM-UHFFFAOYSA-N
XLogP3.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 116722720
N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine
CID 116722846
N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine
CID 116722802
N-[2-cyclohexyl-1-(furan-3-yl)-2-methoxyethyl]propan-1-amine
CID 116771848
N-(2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethyl)propan-1-amine
CID 116722797
N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 114661336
1-cyclopropyl-3-(3,5-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 105407026
N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 116722908
N-[2-cyclopropyl-2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783709
N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105013583
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 116722711
1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
CID 116722412

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine (CID 116722688) is N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine is CCCNC(c1cc(OC)cc(OC)c1)C(OC)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine?
The InChIKey is BJUZGERMDTXWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-8-18-16(17(21-4)12-6-7-12)13-9-14(19-2)11-15(10-13)20-3/h9-12,16-18H,5-8H2,1-4H3.
What are the key properties of N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine?
N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine is sourced from PubChem (CID 116722688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).