(3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine

C19H23N3O — CID 141317247

IUPAC(3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCCN(C[C@H]1C=C(N)NC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H23N3O/c1-2-22(14-15-11-19(20)21-13-15)16-7-6-10-18(12-16)23-17-8-4-3-5-9-17/h3-12,15,21H,2,13-14,20H2,1H3/t15-/m0/s1
InChIKeyWMNCFNDJXDWLIJ-HNNXBMFYSA-N
MW309.41 g/mol
LogP3.32
Rot. Bonds6

About (3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine

(3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 141317247) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name(3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID141317247
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCCN(C[C@H]1C=C(N)NC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H23N3O/c1-2-22(14-15-11-19(20)21-13-15)16-7-6-10-18(12-16)23-17-8-4-3-5-9-17/h3-12,15,21H,2,13-14,20H2,1H3/t15-/m0/s1
InChIKeyWMNCFNDJXDWLIJ-HNNXBMFYSA-N
XLogP3.32
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(4-chloro-N-ethyl-2-fluoroanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141317284
N-(cyclopropylmethyl)-N-(oxiran-2-ylmethyl)-3-phenoxyaniline
CID 58150732
3-[4-[bis(oxiran-2-ylmethyl)amino]phenoxy]-N,N-bis(oxiran-2-ylmethyl)aniline
CID 53389713
2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid
CID 59212023
3-[4-[2-[4-[3-[bis(oxiran-2-ylmethyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]-N,N-bis(oxiran-2-ylmethyl)aniline
CID 141224972
N,N-diethyl-3-(phenoxymethyl)aniline
CID 54126573
(3S)-3-[(4-chloro-3-methoxy-N-methylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141317374
N-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline
CID 67928177
N,N-diethyl-3-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxyaniline
CID 15808266
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine
CID 66363208
3-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]-N,N-diethylaniline
CID 829194
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline
CID 80567320

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of (3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine (CID 141317247) is (3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for (3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for (3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine is CCN(C[C@H]1C=C(N)NC1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is WMNCFNDJXDWLIJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-22(14-15-11-19(20)21-13-15)16-7-6-10-18(12-16)23-17-8-4-3-5-9-17/h3-12,15,21H,2,13-14,20H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine?
(3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine has a molecular weight of 309.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 141317247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).