N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine

C18H26ClNO — CID 64748077

IUPACN-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
SMILESCCC1CCC(Oc2ccc(CNC3CC3)cc2Cl)CC1
InChIInChI=1S/C18H26ClNO/c1-2-13-3-8-16(9-4-13)21-18-10-5-14(11-17(18)19)12-20-15-6-7-15/h5,10-11,13,15-16,20H,2-4,6-9,12H2,1H3
InChIKeyUNRPUUNLVXLMQT-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.94
Rot. Bonds6

About N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine

N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine (PubChem CID 64748077) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
PubChem CID64748077
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC NameN-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
SMILESCCC1CCC(Oc2ccc(CNC3CC3)cc2Cl)CC1
InChIInChI=1S/C18H26ClNO/c1-2-13-3-8-16(9-4-13)21-18-10-5-14(11-17(18)19)12-20-15-6-7-15/h5,10-11,13,15-16,20H,2-4,6-9,12H2,1H3
InChIKeyUNRPUUNLVXLMQT-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748536
N-[[3-chloro-4-(3-ethoxypropoxy)phenyl]methyl]cyclopropanamine
CID 65176295
N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158351
N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953858
N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63499759
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63456354
N-[(3-chloro-4-cycloheptyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 82927497
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide
CID 64748145
N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine
CID 64749835
N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 113382701

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine (CID 64748077) is N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine is CCC1CCC(Oc2ccc(CNC3CC3)cc2Cl)CC1.
What is the InChIKey of N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine?
The InChIKey is UNRPUUNLVXLMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-2-13-3-8-16(9-4-13)21-18-10-5-14(11-17(18)19)12-20-15-6-7-15/h5,10-11,13,15-16,20H,2-4,6-9,12H2,1H3.
What are the key properties of N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine?
N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine has a molecular weight of 307.86 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 64748077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).