N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine

C15H20ClNO — CID 112609951

IUPACN-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine
SMILESC=C(CC)COc1c(Cl)cccc1CNC1CC1
InChIInChI=1S/C15H20ClNO/c1-3-11(2)10-18-15-12(5-4-6-14(15)16)9-17-13-7-8-13/h4-6,13,17H,2-3,7-10H2,1H3
InChIKeyNEUITWRXUGBEPF-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.94
Rot. Bonds7

About N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine

N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine (PubChem CID 112609951) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine
PubChem CID112609951
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine
SMILESC=C(CC)COc1c(Cl)cccc1CNC1CC1
InChIInChI=1S/C15H20ClNO/c1-3-11(2)10-18-15-12(5-4-6-14(15)16)9-17-13-7-8-13/h4-6,13,17H,2-3,7-10H2,1H3
InChIKeyNEUITWRXUGBEPF-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 112609936
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115953715
N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 115953806
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115953772
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]propane-1,2-diol
CID 112609889
N-[[3-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953820
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]butan-2-ol
CID 112609944
N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953858
N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 107041620
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide
CID 115952913
1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine
CID 112608720
N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953723

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine (CID 112609951) is N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine is C=C(CC)COc1c(Cl)cccc1CNC1CC1.
What is the InChIKey of N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is NEUITWRXUGBEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-3-11(2)10-18-15-12(5-4-6-14(15)16)9-17-13-7-8-13/h4-6,13,17H,2-3,7-10H2,1H3.
What are the key properties of N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine?
N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 265.78 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-(2-methylidenebutoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 112609951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).