1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine

C16H21FN2 — CID 62329574

IUPAC1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
SMILESCC(C)(C)C(NCc1ccc[nH]1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2/c1-16(2,3)15(12-6-8-13(17)9-7-12)19-11-14-5-4-10-18-14/h4-10,15,18-19H,11H2,1-3H3
InChIKeyJRTDXRZSZQZHOC-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine

1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine (PubChem CID 62329574) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
PubChem CID62329574
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
SMILESCC(C)(C)C(NCc1ccc[nH]1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2/c1-16(2,3)15(12-6-8-13(17)9-7-12)19-11-14-5-4-10-18-14/h4-10,15,18-19H,11H2,1-3H3
InChIKeyJRTDXRZSZQZHOC-UHFFFAOYSA-N
XLogP4.03
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol
CID 43735061
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43433338
[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol
CID 110009379
(1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81368969
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115652954
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 63446121
4,4,4-trifluoro-N-(1H-pyrrol-2-ylmethyl)butan-2-amine
CID 103578817
1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115633725
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 119127152
2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 94197027
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine
CID 43735025
2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 83142379

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine (CID 62329574) is 1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine is CC(C)(C)C(NCc1ccc[nH]1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
The InChIKey is JRTDXRZSZQZHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-16(2,3)15(12-6-8-13(17)9-7-12)19-11-14-5-4-10-18-14/h4-10,15,18-19H,11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine has a molecular weight of 260.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62329574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).