N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine

C16H20ClNO2S — CID 81121964

IUPACN-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)c(Cl)c1)c1cc(OC)cs1
InChIInChI=1S/C16H20ClNO2S/c1-4-7-18-16(15-9-12(19-2)10-21-15)11-5-6-14(20-3)13(17)8-11/h5-6,8-10,16,18H,4,7H2,1-3H3
InChIKeyBHWITSRVWFLMKX-UHFFFAOYSA-N
MW325.86 g/mol
LogP4.51
Rot. Bonds7

About N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine

N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine (PubChem CID 81121964) has the molecular formula C16H20ClNO2S and a molecular weight of 325.86 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
PubChem CID81121964
Molecular FormulaC16H20ClNO2S
Molecular Weight325.86 g/mol
Exact Mass325.09
IUPAC NameN-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)c(Cl)c1)c1cc(OC)cs1
InChIInChI=1S/C16H20ClNO2S/c1-4-7-18-16(15-9-12(19-2)10-21-15)11-5-6-14(20-3)13(17)8-11/h5-6,8-10,16,18H,4,7H2,1-3H3
InChIKeyBHWITSRVWFLMKX-UHFFFAOYSA-N
XLogP4.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494415
N-[(3-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 65237089
N-[(4-bromothiophen-2-yl)-(4-chloro-3-methoxyphenyl)methyl]propan-1-amine
CID 79697203
1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105007159
N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine
CID 43494447
[(3-chloro-4-methylphenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 107562678
N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115816052
N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127179
N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105026473
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105042627
1-(3-chloro-4-methoxyphenyl)-N-propylethane-1,2-diamine
CID 65021451
N-[(3-bromo-4-methoxyphenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43493876

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine (CID 81121964) is N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(OC)c(Cl)c1)c1cc(OC)cs1.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The InChIKey is BHWITSRVWFLMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2S/c1-4-7-18-16(15-9-12(19-2)10-21-15)11-5-6-14(20-3)13(17)8-11/h5-6,8-10,16,18H,4,7H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine has a molecular weight of 325.86 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81121964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).