N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine

C14H20ClNO2 — CID 113382701

IUPACN-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine
SMILESCOC(C)COc1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-10(17-2)9-18-14-6-3-11(7-13(14)15)8-16-12-4-5-12/h3,6-7,10,12,16H,4-5,8-9H2,1-2H3
InChIKeySWSKKSUVPKVZJQ-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.01
Rot. Bonds7

About N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine

N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine (PubChem CID 113382701) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine
PubChem CID113382701
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine
SMILESCOC(C)COc1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-10(17-2)9-18-14-6-3-11(7-13(14)15)8-16-12-4-5-12/h3,6-7,10,12,16H,4-5,8-9H2,1-2H3
InChIKeySWSKKSUVPKVZJQ-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine
CID 65176295
N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158351
N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
CID 79168575
2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide
CID 102701595
N-[(3-chloro-4-methoxyphenyl)methyl]thian-4-amine
CID 115653478
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 64748077
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
N-[[4-(4-bromophenoxy)-3-chlorophenyl]methyl]cyclopropanamine
CID 81155198
N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452280
N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 62737898

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine (CID 113382701) is N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine is COC(C)COc1ccc(CNC2CC2)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is SWSKKSUVPKVZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(17-2)9-18-14-6-3-11(7-13(14)15)8-16-12-4-5-12/h3,6-7,10,12,16H,4-5,8-9H2,1-2H3.
What are the key properties of N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine?
N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 269.77 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 113382701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).