N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine

C15H24ClNO2 — CID 66530974

IUPACN-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine
SMILESCCCOc1cc(Cl)c(CNC(C)CC)cc1OC
InChIInChI=1S/C15H24ClNO2/c1-5-7-19-15-9-13(16)12(8-14(15)18-4)10-17-11(3)6-2/h8-9,11,17H,5-7,10H2,1-4H3
InChIKeyQZBYQNYKFYCEHZ-UHFFFAOYSA-N
MW285.81 g/mol
LogP4.03
Rot. Bonds8

About N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine

N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine (PubChem CID 66530974) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine
PubChem CID66530974
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC NameN-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine
SMILESCCCOc1cc(Cl)c(CNC(C)CC)cc1OC
InChIInChI=1S/C15H24ClNO2/c1-5-7-19-15-9-13(16)12(8-14(15)18-4)10-17-11(3)6-2/h8-9,11,17H,5-7,10H2,1-4H3
InChIKeyQZBYQNYKFYCEHZ-UHFFFAOYSA-N
XLogP4.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]butan-2-amine
CID 54855338
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine
CID 66532430
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 66532416
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542280
2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol
CID 66532313
(2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine
CID 29228088
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66530872
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-2-amine
CID 66531772
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 66530787
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]butan-2-amine
CID 66534333
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine
CID 66542705
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 66530786

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine?
The IUPAC name of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine (CID 66530974) is N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine?
The canonical SMILES for N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine is CCCOc1cc(Cl)c(CNC(C)CC)cc1OC.
What is the InChIKey of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine?
The InChIKey is QZBYQNYKFYCEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-5-7-19-15-9-13(16)12(8-14(15)18-4)10-17-11(3)6-2/h8-9,11,17H,5-7,10H2,1-4H3.
What are the key properties of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine?
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine has a molecular weight of 285.81 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 66530974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).