(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine

C14H18N2O — CID 81376430

IUPAC(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2cc[nH]c2)c1
InChIInChI=1S/C14H18N2O/c1-11(16-10-12-6-7-15-9-12)13-4-3-5-14(8-13)17-2/h3-9,11,15-16H,10H2,1-2H3/t11-/m1/s1
InChIKeyNTAREKWRHSTCCC-LLVKDONJSA-N
MW230.31 g/mol
LogP2.87
Rot. Bonds5

About (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine

(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine (PubChem CID 81376430) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
PubChem CID81376430
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2cc[nH]c2)c1
InChIInChI=1S/C14H18N2O/c1-11(16-10-12-6-7-15-9-12)13-4-3-5-14(8-13)17-2/h3-9,11,15-16H,10H2,1-2H3/t11-/m1/s1
InChIKeyNTAREKWRHSTCCC-LLVKDONJSA-N
XLogP2.87
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81370646
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
CID 66408691
(1R)-1-(3-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81376061
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376127
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
(1R)-N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81373751
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
2-methoxy-5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81354169
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376213

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine (CID 81376430) is (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine is COc1cccc([C@@H](C)NCc2cc[nH]c2)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The InChIKey is NTAREKWRHSTCCC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(16-10-12-6-7-15-9-12)13-4-3-5-14(8-13)17-2/h3-9,11,15-16H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine?
(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine is sourced from PubChem (CID 81376430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).