N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C17H26ClNO — CID 66477445

IUPACN-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Cl)c1)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H26ClNO/c1-7-19-14(15-16(2,3)17(15,4)5)11-8-9-13(20-6)12(18)10-11/h8-10,14-15,19H,7H2,1-6H3
InChIKeyVWBIAWKESBGRCD-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.68
Rot. Bonds5

About N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 66477445) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID66477445
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Cl)c1)C1C(C)(C)C1(C)C
InChIInChI=1S/C17H26ClNO/c1-7-19-14(15-16(2,3)17(15,4)5)11-8-9-13(20-6)12(18)10-11/h8-10,14-15,19H,7H2,1-6H3
InChIKeyVWBIAWKESBGRCD-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine with MolForge

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Related Compounds

4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-chloro-1-methoxybenzene
CID 66476585
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 66394948
N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 62800281
N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66478019
1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine
CID 43488519
N-[(3-bromo-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66477448
N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66476109
[(4-chloro-3-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105320846
N-[(3-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 82872461
N-[5,6,7,8-tetrahydronaphthalen-2-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477249
N-[(4-chloro-3-methoxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107189816
N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315754

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 66477445) is N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CCNC(c1ccc(OC)c(Cl)c1)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is VWBIAWKESBGRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-7-19-14(15-16(2,3)17(15,4)5)11-8-9-13(20-6)12(18)10-11/h8-10,14-15,19H,7H2,1-6H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 295.85 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 66477445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).