N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline

C17H20ClNO2 — CID 65022702

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C17H20ClNO2/c1-3-9-21-15-6-4-5-14(11-15)19-12-13-7-8-17(20-2)16(18)10-13/h4-8,10-11,19H,3,9,12H2,1-2H3
InChIKeyVMKWOMVCZFXKNA-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.75
Rot. Bonds7

About N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline

N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline (PubChem CID 65022702) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline
PubChem CID65022702
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C17H20ClNO2/c1-3-9-21-15-6-4-5-14(11-15)19-12-13-7-8-17(20-2)16(18)10-13/h4-8,10-11,19H,3,9,12H2,1-2H3
InChIKeyVMKWOMVCZFXKNA-UHFFFAOYSA-N
XLogP4.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 65022380
3-chloro-N-[(3-methoxyphenyl)methyl]-4-propoxyaniline
CID 60935346
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
3-chloro-N-[(3-propoxyphenyl)methyl]aniline
CID 39375106
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
CID 65022418
N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
CID 63645864
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
N-[(3-butoxyphenyl)methyl]-3-methoxyaniline
CID 39386916
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline (CID 65022702) is N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline is CCCOc1cccc(NCc2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline?
The InChIKey is VMKWOMVCZFXKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-9-21-15-6-4-5-14(11-15)19-12-13-7-8-17(20-2)16(18)10-13/h4-8,10-11,19H,3,9,12H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline?
N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline has a molecular weight of 305.81 g/mol, XLogP of 4.75, 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-methoxyphenyl)methyl]-3-propoxyaniline is sourced from PubChem (CID 65022702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).