3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine

C18H23NOS — CID 43226034

IUPAC3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine
SMILESc1ccc(-c2ccc(CNCCCOCC3CC3)s2)cc1
InChIInChI=1S/C18H23NOS/c1-2-5-16(6-3-1)18-10-9-17(21-18)13-19-11-4-12-20-14-15-7-8-15/h1-3,5-6,9-10,15,19H,4,7-8,11-14H2
InChIKeyJGDHXBTYXRANBD-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.32
Rot. Bonds9

About 3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine

3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 43226034) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine
PubChem CID43226034
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine
SMILESc1ccc(-c2ccc(CNCCCOCC3CC3)s2)cc1
InChIInChI=1S/C18H23NOS/c1-2-5-16(6-3-1)18-10-9-17(21-18)13-19-11-4-12-20-14-15-7-8-15/h1-3,5-6,9-10,15,19H,4,7-8,11-14H2
InChIKeyJGDHXBTYXRANBD-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine
CID 43222784
2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222657
N-benzyl-3-(cyclohexylmethoxy)propan-1-amine
CID 114782937
N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43224626
1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine
CID 61019456
N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 114098872
2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222862
N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine
CID 43222651
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 82705149
5-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophene-3-carbonitrile
CID 79544824
3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 29298732
N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine (CID 43226034) is 3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine is c1ccc(-c2ccc(CNCCCOCC3CC3)s2)cc1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is JGDHXBTYXRANBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-2-5-16(6-3-1)18-10-9-17(21-18)13-19-11-4-12-20-14-15-7-8-15/h1-3,5-6,9-10,15,19H,4,7-8,11-14H2.
What are the key properties of 3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 301.45 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43226034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).