1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine

C19H28ClNO3 — CID 126776256

IUPAC1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine
SMILESCOC1(CNCc2cc(Cl)ccc2OC2CCCC2)CCOCC1
InChIInChI=1S/C19H28ClNO3/c1-22-19(8-10-23-11-9-19)14-21-13-15-12-16(20)6-7-18(15)24-17-4-2-3-5-17/h6-7,12,17,21H,2-5,8-11,13-14H2,1H3
InChIKeyJJOICIVKUAYMIV-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.95
Rot. Bonds7

About 1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine

1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine (PubChem CID 126776256) has the molecular formula C19H28ClNO3 and a molecular weight of 353.89 g/mol. Its IUPAC name is 1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine
PubChem CID126776256
Molecular FormulaC19H28ClNO3
Molecular Weight353.89 g/mol
Exact Mass353.18
IUPAC Name1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine
SMILESCOC1(CNCc2cc(Cl)ccc2OC2CCCC2)CCOCC1
InChIInChI=1S/C19H28ClNO3/c1-22-19(8-10-23-11-9-19)14-21-13-15-12-16(20)6-7-18(15)24-17-4-2-3-5-17/h6-7,12,17,21H,2-5,8-11,13-14H2,1H3
InChIKeyJJOICIVKUAYMIV-UHFFFAOYSA-N
XLogP3.95
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991542
2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol
CID 111470408
4-chloro-2-(chloromethyl)-1-cyclopentyloxybenzene
CID 43141955
N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64748066
2-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 54931099
4-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122127005
[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63558607
1-(5-chloro-2-methoxyphenyl)-N-[[1-(chloromethyl)cyclopentyl]methyl]methanamine
CID 113294642
4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine
CID 117387894
1-(3-chloro-4-fluorophenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991536
1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
CID 82922401
[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358964

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine (CID 126776256) is 1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine is COC1(CNCc2cc(Cl)ccc2OC2CCCC2)CCOCC1.
What is the InChIKey of 1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine?
The InChIKey is JJOICIVKUAYMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO3/c1-22-19(8-10-23-11-9-19)14-21-13-15-12-16(20)6-7-18(15)24-17-4-2-3-5-17/h6-7,12,17,21H,2-5,8-11,13-14H2,1H3.
What are the key properties of 1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine?
1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine has a molecular weight of 353.89 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-cyclopentyloxyphenyl)-N-[(4-methoxyoxan-4-yl)methyl]methanamine is sourced from PubChem (CID 126776256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).